CAS: 824-94-2; 1-(Chloromethyl)-4-Methoxybenzene

该化合物是一种芳香卤化物试剂,适合各种化学转化,特别是有机合成中的化学转化. 其甲氧基混合物组可选择性地实现功能化,其氯替代成分可促进核生殖替代反应,使其成为生产药品,农用化学品和其他专门化学品的多种中间体.

英文名称1-(Chloromethyl)-4-Methoxybenzene
中文名称对甲氧基氯苄
IUPAC名称1-(chloromethyl)-4-methoxybenzene
其它别名4-甲氧基苄氯; 对甲氧基苄氯; Anisyl Chloride (Stabilized With Amylene)
CAS编号824-94-2
MFCD编号:MFCD00000915
EINECS号:212-540-6
FDA UNII编号:Q500ZS03TI
分子式:C8H9ClO
分子量:156.61
产品CID: 1815562
产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

相似结构搜索
产品信息参考;;;
InChIKey: MOHYOXXOKFQHDC-UHFFFAOYSA-N
InChI=1S/C8H9ClO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3…
计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数2.0

物理性质

熔点-1 °C
沸点117-118°C at 760 mmHg
闪点109°C
密度1.155
PSA:9.23
LogP:2.434
折射率1.517
蒸汽压0.1±0.4 mmHg at 25°C
溶解性Chloroform (Slightly), Ethyl Acetate (Slightly)
敏感性常温常压下稳定，避免氧化剂强碱接触
外观形态透明无色至淡黄色液体
储存条件惰性气氛,2-8°C
产品应用用于有机合成.
性质描述该品为无色液体.沸点117-118°C,熔点-1-1°C.

MSDS等安全信息

GHS象形图
GHS符号GHS05;
注释: Corrosion
危险类别皮肤腐蚀类别1B
严重眼损伤类别1
特定目标器官毒性 - 单次接触类别3
金属腐蚀物类别1
皮肤腐蚀类别1
警示词Danger(危险)
危险描述H314 |造成严重皮肤灼伤和眼损伤.
H318 |造成严重眼损伤.
H335 |可能引起呼吸道刺激.
H290 |可能对金属造成腐蚀.
防范说明P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501
危险等级8
UN编号3265.0
危险品标志C
风险等级Corrosive
包装等级Ⅲ
安全声明26-27-36/37/39-45
危险类别码34
WGK Germany3

欧盟法规

ECHA物质C&L通报REACH预注册

上下游产品

合成工艺路线路线简述

合成目标产物 4-Methoxybenzylchloride 主要起始原料 4-Methoxybenzyl Alcohol
105-13-5 = 824-94-2
反应条件:1.1 Reagents: Cyanuric Chloride Catalysts: 1-Pyrrolidinecarboxaldehyde Solvents: Ethyl Acetate; 6 H,40 °C
标题:A General Catalytic Method For Highly Cost- And Atom-Efficient Nucleophilic Substitutions
作者:Huy,Peter H.; Et Al
参考文献:Chemistry - A European Journal 日期:2018 卷标:24(29) 页码:7410-7416]

105-13-5 = 824-94-2
反应条件:1.1 Reagents: Chlorotrimethylsilane; 4 H,Rt
标题:Direct Halogenation Of Alcohols With Halosilanes Under Catalyst- And Organic Solvent-Free Reaction Conditions
作者:Ajvazi,Njomza; Et Al
参考文献:Tetrahedron Letters 日期:2016 卷标:57(22) 页码:2430-2433]

123-11-5 = 824-94-2
反应条件:1.1 Reagents: Sodium Borohydride Solvents: Methanol; 0 °C; 1 H,Rt1.2 Reagents: Water; Rt1.3 Reagents: Thionyl Chloride Solvents: Dichloromethane; 6 H,0 °C
标题:2-Chloro-4,6-Bis{(E)-3-Methoxy-4-[(4-Methoxybenzyl)Oxy]Styryl}Pyrimidine: Synthesis,Spectroscopic And Computational Evaluation
作者:Chaves,Otavio Augusto; Et Al
参考文献:Molbank 日期:2021 卷标:(3)]

123-11-5 = 824-94-2
反应条件:1.1 Reagents: Sodium Borohydride Solvents: Tetrahydrofuran; 0 °C; Overnight,Rt1.2 Solvents: Water; Rt1.3 Reagents: Thionyl Chloride Solvents: Dichloromethane; 0 °C; Overnight,Rt
标题:Palladium-Catalyzed Carboxylative Coupling Of Benzyl Chlorides With Allyltributylstannane: Remarkable Effect Of Palladium Nanoparticles
作者:Feng,Xiujuan; Et Al
参考文献:Organic Letters 日期:2013 卷标:15(1) 页码:108-111]

15733-09-2 = 824-94-2
反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Carbon Tetrachloride,Water
标题:The Pummerer Reaction Of Sulfinyl Compounds
作者:De Lucchi,Ottorino; Et Al
参考文献:Organic Reactions (Hoboken 日期:1991 卷标:40]

104-93-8 = 824-94-2
反应条件:1.1 15 Min,4 - 5 Bar,40 °C1.2 Reagents: Isopropanol
标题:A Laboratory-Scale Continuous Flow Chlorine Generator For Organic Synthesis
作者:Strauss,Franz J.; Et Al
参考文献:Reaction Chemistry & Engineering 日期:2016 卷标:1(5) 页码:472-476]

5405-95-8 = 824-94-2
反应条件:1.1 Reagents: Silicon Tetrachloride Catalysts: Trichloro[η4-N,N′-(1,2-Dimethyl-1,2-Ethanediylidene)Bis[2,6-Bis(1-Methylethyl)Be... Solvents: Chloroform-D; 24 H,Rt
标题:α-Diimine-Niobium Complex-Catalyzed Deoxychlorination Of Benzyl Ethers With Silicon Tetrachloride
作者:Parker,Bernard F.; Et Al
参考文献:Inorganic Chemistry 日期:2019 卷标:58(19) 页码:12825-12831]

100-66-3 = 824-94-2
反应条件:1.1 Reagents: Hydrochloric Acid Catalysts: Poly(Oxy-1,2-Ethanediyl),α-[2-(1-Methyl-1H-Imidazolium-3-Yl)Ethyl]-ω-[2-(1-Meth... Solvents: Methylcyclohexane,Water; Rt; 8 H,75 °C
标题:An Efficient Procedure For Chloromethylation Of Aromatic Hydrocarbons Catalyzed By Peg1000-Dicationic Ionic Liquids In Aqueous Media
作者:Hu,Yu Lin; Et Al
参考文献:Chemcatchem 日期:2010 卷标:2(4) 页码:392-396]

105-13-5 = 824-94-2
反应条件:1.1 Solvents: Dichloromethane; 30 Min,Rt1.2 Reagents: Triphenylphosphine Solvents: Dichloromethane; 5 Min,0 °C1.3 Reagents: Triphosgene; 5 Min,0 °C1.4 Solvents: Dichloromethane; Rt1.5 Solvents: Dichloromethane; 1 H,Rt
标题:Intrinsic Sensing Fluorescent Probe For The Solid Phase Synthesis Of 1,4-Benzodiazepine-2,5-Dione
作者:Rivero,Ignacio A.; Et Al
参考文献:Arkivoc (Gainesville 日期:2003 卷标:(11) 页码:27-36]

5023-67-6 = 824-94-2
反应条件:1.1 Reagents: Sulfuryl Chloride
标题:Reactions Of α-Azido Sulfones With Bases
作者:Jarvis,Bruce B.; Et Al
参考文献:Journal Of Organic Chemistry 日期:1980 卷标:45(11) 页码:2265-8]

50893-53-3 + 105-13-5 = 824-94-2
反应条件:1.1 Reagents: Pyridine Solvents: Dichloromethane2.1 Reagents: Potassium Fluoride Catalysts: 18-Crown-6
标题:A Simple Conversion Of 1-Chloroethyl Carbonates To Fluoroformates: Value In The Preparation Of Tertiary Alkyl Fluoroformates
作者:Dang Vu Anh; Et Al
参考文献:Journal Of Organic Chemistry 日期:1990 卷标:55(6) 页码:1847-51]

105-13-5 = 824-94-2
反应条件:1.1 Reagents: 4-Aza-1-Azoniabicyclo[2.2.2]Octane,1-[[[(1,1-Dimethylethoxy)Carbonyl]Amino]Sulf... Solvents: Acetonitrile; 2 Min,Rt1.2 Reagents: Hydrochloric Acid Solvents: 1,4-Dioxane; 5 Min,Rt; 3 H,Rt; Rt -> 10 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; 2 H,< 25 °C
标题:N-(Tert-Butoxycarbonyl)-N-[(Triethylenediammonium)Sulfonyl]Azanide: A Convenient Sulfamoylation Reagent For Alcohols
作者:Armitage,Ian; Et Al
参考文献:Organic Letters 日期:2012 卷标:14(10) 页码:2626-2629]

15733-09-2 = 824-94-2
反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Carbon Tetrachloride
标题:Behavior Of Benzyl Sulfoxides Toward Acid Chlorides. Useful Departures From The Pummerer Reaction
作者:Chupp,John P.; Et Al
参考文献:Journal Of Organic Chemistry 日期:1984 卷标:49(24) 页码:4711-16]

14629-56-2 = 824-94-2
反应条件:1.1 Reagents: Chlorosuccinimide,Phosphinous Acid,Diphenyl-,4-Aminophenyl Ester Solvents: Dichloromethane; 1 H,Reflux1.2 Reagents: Sodium Thiosulfate; Rt
标题:4-Aminophenyldiphenylphosphinite (Apdpp),A New Heterogeneous And Acid Scavenger Phosphinite - Conversion Of Alcohols,Trimethylsilyl,And Tetrahydropyranyl Ethers To Alkyl Halides With Halogens Or N-Halosuccinimides
作者:Firouzabadi,Habib; Et Al
参考文献:Canadian Journal Of Chemistry 日期:2006 卷标:84(7) 页码:1006-1012]

589-18-4 = 824-94-2
反应条件:1.1 Reagents: Triphenylphosphine,Triphosgene Solvents: Dichloromethane
标题:Triphosgene/triphenylphosphine: A Mild Reagent For The Conversion Of Alcohols To Chlorides
作者:Rivero,I. A.; Et Al
参考文献:Synthetic Communications 日期:1993 卷标:23(5) 页码:711-14]

18494-82-1 = 824-94-2
反应条件:1.1 Reagents: Chlorosuccinimide,Phosphinous Acid,Diphenyl-,4-Aminophenyl Ester Solvents: Dichloromethane; 1.5 H,Reflux1.2 Reagents: Sodium Thiosulfate; Rt
标题:4-Aminophenyldiphenylphosphinite (Apdpp),A New Heterogeneous And Acid Scavenger Phosphinite - Conversion Of Alcohols,Trimethylsilyl,And Tetrahydropyranyl Ethers To Alkyl Halides With Halogens Or N-Halosuccinimides
作者:Firouzabadi,Habib; Et Al
参考文献:Canadian Journal Of Chemistry 日期:2006 卷标:84(7) 页码:1006-1012]

100-66-3 = 824-94-2 [标题:Reaction Conditions
标题:Synthesis By Substitution Of Carbonyl Oxygen
作者:Pfeiffer,W. D.
参考文献:Science Of Synthesis 日期:2007 卷标:35 页码:155-165]

117309-25-8 = 824-94-2
反应条件:1.1 Reagents: Carbon Tetrachloride,Azobisisobutyronitrile Solvents: Benzene
标题:Monomeric Metaphosphate Formation During Radical-Based Dephosphorylation
作者:Avila,L. Z.; Et Al
参考文献:Journal Of The American Chemical Society 日期:1988 卷标:110(23) 页码:7904-6]

= 824-94-2
反应条件:1.1 Reagents: Potassium Fluoride Catalysts: 18-Crown-6
标题:A Simple Conversion Of 1-Chloroethyl Carbonates To Fluoroformates: Value In The Preparation Of Tertiary Alkyl Fluoroformates
作者:Dang Vu Anh; Et Al
参考文献:Journal Of Organic Chemistry 日期:1990 卷标:55(6) 页码:1847-51]

= 824-94-2
反应条件:1.1 Solvents: Carbon Tetrachloride
标题:The Absence Of Temperature Effect In The Competitive Beta-Cleavages Of Benzyl Methyl Substituted-Benzyl Carbinyloxy Radicals
作者:Kim,Sung Soo; Et Al
参考文献:Tetrahedron Letters 日期:1991 卷标:32(36) 页码:4725-8]

1515-81-7 = 824-94-2 [标题:Reaction Conditions
标题:Synthesis By Substitution Of σ-Bonded Heteroatoms
作者:Margaretha,P.
参考文献:Science Of Synthesis 日期:2007 卷标:35 页码:167-172]

207795-39-9 = 824-94-2 [标题:Reaction Conditions
标题:Synthesis By Substitution Of σ-Bonded Heteroatoms
作者:Margaretha,P.
参考文献:Science Of Synthesis 日期:2007 卷标:35 页码:167-172

4-甲氧基苄醇置于四氯化硅体系中,用氯仿作为反应溶剂,化学反应 0.75H,以93%的收率获得产物4-甲氧基氯苄
参考文献:氯化硅 (Sio2-Cl),一种新的多相试剂,用于选择性和有效地将苄醇转化为其相应的氯化物和碘化物
标题:氯化硅 (Sio2-Cl),一种新的多相试剂,用于选择性和有效地将苄醇转化为其相应的氯化物和碘化物
摘要:摘要在室温下,在 Chcl3 中的氯化硅 (Sio2-Cl) 可以将结构不同的苄醇有效地转化为其相应的氯化物.在 Nai 存在下,在 Ch3Cn/chcl3 混合物中,氯化硅也能够以极好的收率将苄醇转化为其碘化物.
DOI:10.1081/scc-120025175

海关参考信息

2902300000-甲苯
2905110000-甲醇
2903110000-一氯甲烷及氯乙烷
2908199090-其他酚的卤化衍生物
💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-8350031-B2
优先权日:2008-06-02
标题:Processes for the synthesis of levocetirizine and intermediates for use therein
发明人：RAO DHARMARAJ RAMACHANDRA; KANKAN RAJENDRA NARAYANRAO; GHAGARE MARUTI; CHIKHALIKAR SANDIP VASANT
权利人:CIPLA LTD; RAO DHARMARAJ RAMACHANDRA; KANKAN RAJENDRA NARAYANRAO; GHAGARE MARUTI; CHIKHALIKAR SANDIP VASANT
摘要:The present invention provides a compound of formula (IV) n nwherein R is Cl, Br, NO 2 , OH or ORâ€², and Râ€² is alkyl, and its use in the synthesis of levocetirizine, including its use in the synthesis of (âˆ’)-1-[(4-chlorophenyl)-phenylmethyl]piperazine, an intermediate useful in the synthesis of levocetirizine. The present invention also provides compounds (II) and (III) which are useful in the synthesis of compound (IV).

专利号:US-2004018598-A1
优先权日:2000-05-30
标题 :Bio-intermediates for use in the chemical synthesis of polyketides
发明人：SANTI DANIEL; ASHLEY GARY; MYLES DAVID C
摘要:The present invention relates to compounds made by a subset of modules from one or more polyketide synthase (â€œPKSâ€?) genes that are used as starting material in the chemical synthesis of novel molecules, particularly naturally occurring polyketides or derivatives thereof. The biologically derived intermediates (â€œbio-intermediatesâ€?) generally represent particularly difficult compounds to synthesize using traditional chemical approaches due to one or more stereocenters. In one aspect of the invention, an intermediate in the synthesis of epothilone is provided that feeds into the synthetic protocol of Danishefsky and co-workers. In another aspect of the invention, intermediates in the synthesis of discodermolide are provided that feed into the synthetic protocol of Smith and co-workers. By taking advantage of the inherent stereochemical specificity of biological processes, the syntheses of key intermediates and thus the overall syntheses of compounds like epothilone and discodermolide are greaty simplified.

专利号:US-8927708-B2
优先权日:2013-03-26
标题 :Process for the synthesis of 7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one compounds, and application in the synthesis of ivabradine
发明人：LE FLOHIC ALEXANDRE
权利人:SERVIER LAB
摘要:Process for the synthesis of the compound of formula (I): n nwherein R represents a para-methoxybenzyl (PMB) group or the following group:n n nApplication in the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid.

专利号:US-2006287520-A1
优先权日:2005-05-16
标题 :Synthesis of salinosporamide A and analogues thereof
发明人：DANISHEFSKY SAMUEL J; ENDO ATSUSHI
权利人:DANISHEFSKY SAMUEL J; ENDO ATSUSHI
摘要:A novel synthesis of salinosporamide A is provided. Salinospoamide A as well as structurally related natural products, omuralide and lactacystin, have been shown to be proteasome inhibitors. Therefore, these compounds as well as analogues of these natural products may be useful in the treatment of proliferative diseases such as cancer, autoimmune diseases, diabetic retinopathy, etc. The invention provides for the synthesis of salinosporamide A as well as analogs thereof using a convenient point for derivatization of the bicyclic core. Pharmaceutical compositions and method of using the inventive compounds are also provided.

专利号:WO-2024182268-A1
优先权日:2023-02-27
标题 :Liquid phase peptide support synthesis of peptides and peptidomimetics
发明人：HAN AMY
权利人:REGENERON PHARMA
摘要:The present invention provides compounds useful as support for liquid phase organic synthesis e.g., liquid phase organic synthesis of peptides and peptidomimetics. In one aspect, the present invention provides a compound having a structure of Formula (I) where R1, R2, R3, m, and n are as described herein and methods of making and using same.

专利号:US-9783549-B2
优先权日:2013-11-04
标题:Macrocyclization reactions and intermediates useful in the synthesis of analogs of halichondrin B
发明人：FANG FRANCIS G; KIM DAE-SHIK; CHOI HYEONG-WOOK; CHASE CHARLES E; LEE JAEMOON
权利人:EISAI R&D MAN CO LTD
摘要:The invention provides methods for the synthesis of eribulin or a pharmaceutically acceptable salt thereof (e.g., eribulin mesylate) through a macrocyclization strategy. The macrocyclization strategy of the present invention involves subjecting a non-macrocyclic intermediate to a carbon-carbon bond-forming reaction (e.g., an olefination reaction (e.g., Homer-Wadsworth-Emmons olefination), Dieckmann reaction, catalytic Ring-Closing Olefin Metathesis, or Nozaki-Hiyama-Kishi reaction) to afford a macrocyclic intermediate. The invention also provides compounds useful as intermediates in the synthesis of eribulin or a pharmaceutically acceptable salt thereof and methods for preparing the same.

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