CAS: 874-60-2; P-Toluoyl Chloride

该化合物是一种用于有机合成和制药制造的多用途乙基乙酰剂,该化合物的特点是分子式C8H7ClO,其特点是由于有丙烯功能组的存在,具有高度的回活动性;它因其在将p-toluloymety引入目标分子,从而能够合成酯,安地斯和其他衍生物方面的作用而特别受到重视;芳香环上的甲基组在保持回活性的同时,增强了其稳定性.p-Toluolcl氯化物通常用于精细的化学生产,农用化学品和特殊聚合物;由于它的湿度敏感度和腐蚀性,适当的处理是必不可少的;建议在惰性条件下储存,以保持其完整性.

英文名称P-Toluoyl Chloride
中文名称对甲基苯甲酰氯
IUPAC名称4-methylbenzoyl chloride
其它别名p-Toluoyl chloride; p-Methylbenzoyl chloride
CAS编号874-60-2
MFCD编号:MFCD00000696
EINECS号:212-864-8
FDA UNII编号:092E36PWL4
分子式:C8H7ClO
分子量:154.59
产品CID: 1881842
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
InChIKey: NQUVCRCCRXRJCK-UHFFFAOYSA-N
InChI=1S/C8H7ClO/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3…
计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数1.0

MSDS等安全信息

GHS象形图
GHS符号GHS07 & GHS05;
注释: Exclamation mark & Corrosion
危险类别金属腐蚀物类别1
皮肤腐蚀类别1B
严重眼损伤类别1
皮肤腐蚀类别1C
特定目标器官毒性 - 单次接触类别3
致突变性类别2
皮肤腐蚀类别1
水生慢性毒性类别2
易燃液体类别4
警示词Danger(危险)
危险描述H290 |可能对金属造成腐蚀.
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.
H341 |怀疑导致遗传缺陷.
H411 |对水生生物有毒并具有长期持续影响.
H227 |可燃液体
防范说明P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501
危险等级8
UN编号3265.0
危险品标志C
包装等级Ⅱ
安全声明26-36/37/39-45-24/25
危险类别码34
WGK Germany3

欧盟法规

REACH注册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 P-Toluoyl Chloride 主要起始原料 P-Toluic Acid
99-94-5 = 874-60-2
反应条件:1.1 Catalysts: Dimethylformamide Solvents: Dichloromethane; 5 Min,0 °C1.2 Reagents: Oxalyl Chloride; 0 °C; 4 H,25 °C
标题:Simple And Practical Conversion Of Benzoic Acids To Phenols At Room Temperature
作者:Xiong,Wenzhang; Et Al
参考文献:Journal Of The American Chemical Society 日期:2022 卷标:144(34) 页码:15894-15902]

624-31-7 = 874-60-2
反应条件:1.1 Reagents: Benzyltriphenylphosphonium Chloride Catalysts: Bis(Tri-Tert-Butylphosphine)Palladium Solvents: Toluene; 24 H,22 °C -> 110 °C
标题:A Palladium-Catalyzed Carbonylation Approach To Acid Chloride Synthesis
作者:Quesnel,Jeffrey S.; Et Al
参考文献:Journal Of The American Chemical Society 日期:2013 卷标:135(45) 页码:16841-16844]

13756-42-8 = 874-60-2
反应条件:1.1 Reagents: Phosphorus Trichloride Solvents: Acetonitrile; 3 H,80 °C
标题:A Practical Chlorination Of Tert-Butyl Esters With Pcl3 Generating Acid Chlorides
作者:Wu,Xiaofang; Et Al
参考文献:Journal Of Chemical Research 日期:2020 卷标:44(5-6) 页码:301-304]

= 874-60-2
反应条件:1.1 Reagents: Carbon Monoxide Solvents: Benzene-D6; 5 Min,4 Atm,Rt
标题:From Aryl Iodides To 1,3-Dipoles: Design And Mechanism Of A Palladium Catalyzed Multicomponent Synthesis Of Pyrroles
作者:Torres,Gerardo M.; Et Al
参考文献:Journal Of The American Chemical Society 日期:2016 卷标:138(23) 页码:7315-7324]

99-94-5 + 2741-57-3 = 874-60-2 [标题:Reaction Conditions
标题:Chlorination Of Xylenes And Secondary Products. Ii. Reactions Of The Chlorinated Products
作者:Englaender,Fritz; Et Al
参考文献:Chemiker-Zeitung 日期:1979 卷标:103(1) 页码:9-17]

= 874-60-2 + 2416795-01-0
反应条件:1.1 Solvents: Benzene-D6; 5 Min,4 Atm,3 °C
标题:A Dual Light-Driven Palladium Catalyst: Breaking The Barriers In Carbonylation Reactions
作者:Torres,Gerardo M.; Et Al
参考文献:Science (Washington 日期:2020 卷标:368(6488) 页码:318-323]

624-31-7 + 100-20-9 = 874-60-2 + 624-38-4
反应条件:1.1 Catalysts: 2241736-67-2 Solvents: Benzene-D6; 20 H,110 °C
标题:Functional Group Transposition: A Palladium-Catalyzed Metathesis Of Ar-X σ-Bonds And Acid Chloride Synthesis
作者:De La Higuera Macias,Maximiliano; Et Al
参考文献:Journal Of The American Chemical Society 日期:2018 卷标:140(32) 页码:10140-10144]

= 874-60-2
反应条件:1.1 Solvents: Dichloromethane-D2; 2 H,50 °C
标题:Functional Group Transposition: A Palladium-Catalyzed Metathesis Of Ar-X σ-Bonds And Acid Chloride Synthesis
作者:De La Higuera Macias,Maximiliano; Et Al
参考文献:Journal Of The American Chemical Society 日期:2018 卷标:140(32) 页码:10140-10144]

624-31-7 = 874-60-2 + 696-62-8
反应条件:1.1 Catalysts: Palladium,Tris[μ-[(1,2-η:4,5-η)-(1E,4E)-1,5-Diphenyl-1,4-Pentadien-3-One]]Di-,...,1,1′-(9,9-Dimethyl-9H-Xanthene-4,5-Diyl)Bis[1,1-Diphenylphosphine] Solvents: Benzene-D6; 20 H,80 °C
标题:Functional Group Transposition: A Palladium-Catalyzed Metathesis Of Ar-X σ-Bonds And Acid Chloride Synthesis
作者:De La Higuera Macias,Maximiliano; Et Al
参考文献:Journal Of The American Chemical Society 日期:2018 卷标:140(32) 页码:10140-10144]

99-94-5 = 874-60-2
反应条件:1.1 Catalysts: Dimethylformamide Solvents: Dichloromethane; Rt -> 0 °C; 5 Min,0 °C1.2 Reagents: Oxalyl Chloride; 0 °C; 4 H,Rt
标题:Manganese-Catalyzed Deoxygenation Of Secondary And Tertiary Amides Under Mild Conditions
作者:Huang,Jiamin; Et Al
参考文献:Journal Of Catalysis 日期:2023 卷标:423 页码:19-25]

99-94-5 = 874-60-2
反应条件:1.1 Reagents: Thionyl Chloride; 4 H,Rt -> Reflux
标题:Discovery And Optimization Of N-Acyl-6-Sulfonamide-Tetrahydroquinoline Derivatives As Novel Non-Steroidal Selective Glucocorticoid Receptor Modulators
作者:Li,Dan; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2022 卷标:65(23) 页码:15710-15724]

68-36-0 + 99-75-2 = 874-60-2 [标题:Reaction Conditions
标题:Chlorination Of Xylenes And Secondary Products. Ii. Reactions Of The Chlorinated Products
作者:Englaender,Fritz; Et Al
参考文献:Chemiker-Zeitung 日期:1979 卷标:103(1) 页码:9-17]

99-75-2 = 874-60-2
反应条件:1.1 Reagents: Iodine,Phosphorus Trichloride; 48 H,160 °C; Rt
标题:One-Step Conversion Of Amides And Esters To Acid Chlorides With Pcl3
作者:Li,Fangshao; Et Al
参考文献:European Journal Of Organic Chemistry 日期:2021 卷标:2021(30) 页码:4314-4317]

14062-78-3 = 874-60-2
反应条件:1.1 Reagents: Dimethylformamide,Iodine,Phosphorus Trichloride Solvents: 1,2-Dichloroethane; 12 H,100 °C; Rt
标题:One-Step Conversion Of Amides And Esters To Acid Chlorides With Pcl3
作者:Li,Fangshao; Et Al
参考文献:European Journal Of Organic Chemistry 日期:2021 卷标:2021(30) 页码:4314-4317]

112919-12-7 = 874-60-2
反应条件:1.1 Reagents: Chlorine
标题:Synthesis Of Selenium And Tellurium Bis(Thiocarboxylates) And Reaction With Halogen
作者:Kato,Shinzi; Et Al
参考文献:Nippon Kagaku Kaishi 日期:1987 卷标:(7) 页码:1457-63]

= 874-60-2
反应条件:1.1 Reagents: Benzyltriphenylphosphonium Chloride Catalysts: Bis(Tri-Tert-Butylphosphine)Palladium Solvents: Toluene; 24 H,20 Atm,Rt -> 110 °C
标题:Acid Chloride Synthesis By The Palladium-Catalyzed Chlorocarbonylation Of Aryl Bromides
作者:Quesnel,Jeffrey S.; Et Al
参考文献:Chemistry - A European Journal 日期:2015 卷标:21(26) 页码:9550-9555]

99-94-5 = 874-60-2
反应条件:1.1 Reagents: Iron Chloride (Fecl3)
标题:Study Of The Reaction Of Substituted Benzoic Acids And Potassium Benzoate With Benzotrichloride
作者:Freidlin,E. G.; Et Al
参考文献:Zhurnal Organicheskoi Khimii 日期:1980 卷标:16(5) 页码:1040-3]

99-94-5 = 874-60-2
反应条件:1.1 Reagents: Thionyl Chloride
标题:Effect Of The Site Of Hydrogen-Bonding On The Liquid Crystalline Behavior Of Supramolecular Complexes
作者:Xu,X. Y.; Et Al
参考文献:Liquid Crystals 日期:2009 卷标:36(12) 页码:1365-1372]

98-88-4 + 73210-14-7 + 104-87-0 = 874-60-2 + 88000-67-3
反应条件:1.1 Solvents: Acetonitrile; 3 H,30 °C
标题:Controlled Relay Process To Access N-Centered Radicals For Catalyst-Free Amidation Of Aldehydes Under Visible Light
作者:Lee,Wongyu; Et Al
参考文献:Chem 日期:2021 卷标:7(2) 页码:495-508]

105457-91-8 = 874-60-2
反应条件:1.1 Catalysts: Dicarbonylrhodium Acetylacetonate Solvents: Toluene; 24 H,60 °C
标题:Rhodium-Catalyzed Addition Of α-Keto Acid Chlorides With Terminal Alkynes
作者:Kashiwabara,Taigo; Et Al
参考文献:Advanced Synthesis & Catalysis 日期:2011 卷标:353(9) 页码:1485-1490

对甲基苯甲酸甲酯置于碘,三氯化磷体系中,化学反应 48.0H,以76%的收率获得产物对甲基苯甲酰氯
参考文献:使用 Pcl3 将酰胺和酯一步转化为酰氯
标题:使用 Pcl3 将酰胺和酯一步转化为酰氯
摘要:描述了酰胺和酯与三氯化磷的一般和有效的碘促进氯化.包括仲酰胺和叔酰胺在内的各种失活酰胺首次一步直接转化为相应的酰氯.在该体系下还探索了包括芳香族和脂肪族酯在内的甲酯的底物范围.该方法简单,可扩展,适用范围广,为这些酰氯的制备提供了一种途径.
DOI:10.1002/ejoc.202100630

海关参考信息

2912110000-甲醛
2912210000-苯甲醛
2903110000-一氯甲烷及氯乙烷
💡 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:WO-9517903-A1
优先权日:1993-12-28
标题:Modular design and synthesis of oxazolone-derived molecules
发明人：HOGAN JOSEPH C JR; CASEBIER DAVID; FURTH PAUL; TU CHENG
权利人:ARQULE PARTNERS L P; HOGAN JOSEPH C JR; CASEBIER DAVID; FURTH PAUL; TU CHENG
摘要:The design and synthesis of novel oxazolone-derived molecular modules and the use of the modules in the construction of new molecules and fabricated materials is disclosed. The new molecules and fabricated materials are molecular recognition agents useful in the design and synthesis of drugs, and have applications in separations and materials science.

专利号:US-9856276-B2
优先权日:2010-01-26
标题:Compounds useful in the synthesis of halichondrin B analogs
发明人：ENDO ATSUSHI; CHASE CHARLES E; FANG FRANCIS G
权利人:EISAI R&D MAN CO LTD
摘要:In general, the invention features compounds useful for the synthesis of analogs of halichondrin B, such as eribulin or pharmaceutically acceptable salts thereof, e.g., eribulin mesylate. Exemplary compounds are of formula (I), (II), or (III):

专利号:WO-2006095359-A1
优先权日:2005-03-10
标题:Synthesis of 2-deoxy-2, 2-di fluoro-d-ribo furanose-3, 5 di(4-methy/4-nitro-chloro)benzoate and its conversion to gemcitabine hydrochloride thereof
发明人：POTLURI RAMESH BABU; VENKATA SUBRAMANIAN HARIHARAKR; BETINI RAMESH; GUNTURU SATYANARAYANA
权利人:SMS PHARMACEUTICALS LTD; POTLURI RAMESH BABU; VENKATA SUBRAMANIAN HARIHARAKR; BETINI RAMESH; GUNTURU SATYANARAYANA
摘要:The invention describes the synthesis of hereto unreported 2-deoxy-2,2-difluoro-D-ribofuranose-3,5-di-(aroyl) derivative of formula-Vb, where in R=;CH3,CI,NO2 and its conversion to Gemcitabine HCl of formula-I, an anti cancer product.

专利号:US-6642367-B2
优先权日:1995-03-06
标题:Process for the synthesis of 2â€²-O-substituted pyrimidines and oligomeric compounds therefrom
发明人：COOK PHILLIP DAN; SANGHVI YOGESH S; SPRANKLE KELLY G; ROSS BRUCE S; GRIFFEY RICH H; SPRINGER ROBERT H
权利人:ISIS PHARMACEUTICALS INC
摘要:Oligonucleotide analogs are disclosed having pyrimidine monomeric sub-units therein that are modified at the 2â€² and 5â€² positions. Monomeric sub-units having these modifications may be further modified at the 2â€² position. Improved processes for the synthesis of 2â€²-O-substituted pyrimidine nucleosides are also provided. The processes feature alkylation of a 2,2â€²-anhydropyrimidine nucleoside or a 2S,2â€²-anhydropyrimidine nucleoside with a weak nucleophile in the presence of a Lewis acid.

专利号:US-9475814-B2
优先权日:2011-10-03
标题:Chiral N-acyl-5,6,7(8-substituted)-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazines as selective NK-3 receptor antagonists, pharmaceutical composition, methods for use in NK-3 receptor mediated disorders and chiral synthesis thereof
发明人：HOVEYDA HAMID R; DUTHEUIL GUILLAUME; FRASER GRAEME L; ROY MARIE-ODILE; EL BOUSMAQUI MOHAMED; BATT FREDERIC
权利人:EUROSCREEN SA
摘要:The present invention relates to novel compounds of Formula I and their use in therapeutic treatments. The invention further relates to a novel chiral synthesis of 5,6,7,(8-substituted)-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazines using N-sp3 protective groups. The invention also provides intermediates for use in the synthesis of compounds of Formula I.

专利号:US-6924375-B2
优先权日:2003-09-03
标题:Facile synthesis of 1,9-diacyldipyrromethanes
发明人：LINDSEY JONATHAN S; TAMARU SHUN-ICHI; YU LIANHE
权利人:UNIV NORTH CAROLINA STATE
摘要:The present invention provides a method of making a metal complex. The method comprises the steps of: (a) acylating a dipyrromethane or a 1-monoacyldipyrromethane to form a mixed reaction product comprising a 1,9-diacyidipyrromethane; (b) combining the reaction product with a compound of the formula R 2 MX 2 in the presence of a base, where R is alkyl or aryl, M is Sn, Si, Ge, or Pb (preferably Sn), and X is halo, OAc, acac, or OTf, to form a product comprising a metal complex of the formula DMR 2 in the mixed reaction product, wherein D is a 1,9-diacyldipyrromethane; and then (c) separating the metal complex from the mixed reaction product. The method may be utilized for the convenient synthesis and separation of 1,9-diacyldipyrromethanes. Metal complex intermediates useful in such methods are also described.

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合成参考文献

参考文献:10.1107/s1600536811017946
摘要:Vinduvahini M, Saha BK, Mahalakhmi, Revanasiddappa HD, Devarajegowda HC. N-{3-[2-(4-Fluoro-phen-oxy)eth-yl]-2,4-dioxo-1,3-diaza-spiro-[4.5]decan-7-yl}-4-methyl-benzamide. Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 01;67(Pt 6):o1440–1.