CAS: 92136-39-5; N-Boc-Propargylamine

该化合物是一种有机化合物,其特征是含有一种丙基胺功能组,该组具有一个终端烷基和一个矿物质."N-Boc"的称谓表明,该矿由一个三丁基氧基碳基(Boc)组加以保护,该组是一个有机合成的共同保护组,可增强该矿的稳定性和溶性.该组系通常是一种无色的,淡黄色液体或固体,视其纯度和形态而定.该组系存在于二氯甲烷和乙基乙酸酯等有机溶剂中,但因其缺水性特征在水中溶解较少.N-Boc-丙基胺经常用于有机合成,特别是用于制作各种含氮化合物,并作为合成药物和农用化学品的一种中间体.其活性受烷和矿质功能的影响,允许多种化学变异,包括混合反应和添加核糖化合物.在处理该化合物时,应当采取安全措施,因为该化合物具有许多有机特性.

英文名称N-Boc-Propargylamine
中文名称N-Boc-炔丙胺
IUPAC名称tert-butyl prop-2-yn-1-ylcarbamate
其它别名N-(叔丁氧羰基)炔丙胺; N-Boc-Propargylamine
CAS编号92136-39-5
MFCD编号:MFCD07367245
EINECS号:629-157-9
分子式:C8H13NO2
分子量:155.19
产品CID: 1959284
产品分类有机原料→分子砌块→脂肪链类化合物

相似结构搜索
InChIKey: DSPYCWLYGXGJNJ-UHFFFAOYSA-N
InChI=1S/C8H13NO2/c1-5-6-9-7(10)11-8(2,3)4/h1H,6H2,2-4H3,(H,9,10)…
计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数1.0

相似化合物

15430-52-1 2450-71-7 306-07-0

物理性质

熔点40-44°C
沸点170 °C at 14 mmHg
闪点93.3°C
密度1.0±0.1 g/cm3
pKa:11.24±0.46(预测)
PSA:38.33
LogP:1.1443
折射率1.452
蒸汽压0.1±0.4 mmHg at 25°C
溶解性Soluble In Chloroform.
敏感性易受潮
外观形态淡黄色至深黄色固体
储存条件2-8°C
产品应用该化合物用于合成乙基-甘油聚氨酸盐类物,此外,它还参与了诺丁和N-BOC-丙基氨的PAUSON-KHAND(PK)反应,以制备4,5-二代环球开关.

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别急性毒性类别4(经口)
特定目标器官毒性 - 单次接触类别3
皮肤腐蚀/刺激类别2
严重眼刺激类别2
皮肤腐蚀类别1B
水生慢性毒性类别3
严重眼刺激类别2A
警示词Warning(警告)
危险描述H302 |吞咽有害.
H335 |可能引起呼吸道刺激.
H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
H314 |造成严重皮肤灼伤和眼损伤.
H412 |对水生生物有害并具有长期持续影响.
防范说明P261-P264-P270-P271-P273-P280-P302+P352-P304+P340-P330-P362-P405-P501
UN编号NONH for all modes of transport
危险品标志Xn
安全声明26-36/37-61
危险类别码22-36/37/38-52/53
WGK Germany3

欧盟法规

C&L通报

上下游产品

合成工艺路线路线简述

合成目标产物 N-Boc-Propargylamine 主要起始原料 Di-Tert-Butyl Dicarbonate And Propargyl Bromide
2450-71-7 + 24424-99-5 = 92136-39-5
反应条件:1.1 Solvents: Tetrahydrofuran; 1 H,75 °C
标题:Novel Method Of Tetramic Acid Synthesis: Silver-Catalyzed Carbon Dioxide Incorporation Into Propargylic Amine And Intramolecular Rearrangement
作者:Ishida,Tomonobu; Kobayashi,Ryo; Yamada,Tohru
参考文献:Organic Letters 日期:2014 卷标:16(9) 页码:2430-2433]

2450-71-7 + 24424-99-5 = 92136-39-5
反应条件:1.1 Solvents: Ethyl Acetate; 0 °C -> Rt; Overnight,Rt
标题:Synthesis Of G-Quadruplex-Targeting Flexible Macrocyclic Molecules Via Click Reactions
作者:Zhang,Qiang; Tan,Wei; Yuan,Gu
参考文献:Arkivoc (Gainesville 日期:2013 卷标:(4) 页码:334-345]

2450-71-7 + 24424-99-5 = 92136-39-5
反应条件:1.1 Solvents: Dichloromethane; 0 °C -> Rt
标题:The Vinyl Moiety As A Handle For Regiocontrol In The Preparation Of Unsymmetrical 2,3-Aliphatic-Substituted Indoles And Pyrroles
作者:Huestis,Malcolm P.; Chan,Lina; Stuart,David R.; Fagnou,Keith
参考文献:Angewandte Chemie 日期:2011 卷标:50(6) 页码:1338-1341]

2450-71-7 + 24424-99-5 = 92136-39-5
反应条件:1.1 Solvents: Dichloromethane; 0 °C; 30 Min,Rt
标题:Selective Fluoromethyl Couplings Of Alkynes Via Nickel Catalysis
作者:Li,Huan; Wang,Fang; Zhu,Shengqing; Chu,Lingling
参考文献:Angewandte Chemie 日期:2022 卷标:61(9)]

2450-71-7 + 24424-99-5 = 92136-39-5
反应条件:1.1 Solvents: Dichloromethane; 25 Min,0 °C; 30 Min,Rt
标题:Preparation Of Nicotine-Related Compounds As Modulators Of Smoking Or Nicotine Ingestion And Lung Cancer
参考文献:World Intellectual Property Organization]

2450-71-7 + 24424-99-5 = 92136-39-5
反应条件:1.1 Solvents: Dichloromethane; 25 Min,0 °C; 30 Min,Rt
标题:5-Substituted,6-Substituted,And Unsubstituted 3-Heteroaromatic Pyridine Analogues Of Nicotine As Selective Inhibitors Of Cytochrome P-450 2A6
作者:Denton,Travis T.; Zhang,Xiaodong; Cashman,John R.
参考文献:Journal Of Medicinal Chemistry 日期:2005 卷标:48(1) 页码:224-239]

2450-71-7 + 24424-99-5 = 92136-39-5
反应条件:1.1 Solvents: Dichloromethane; Overnight,Rt1.2 Reagents: Sodium Chloride; Rt
标题:Dual Catalytic Enantioselective Desymmetrization Of Allene-Tethered Cyclohexanones
作者:Zhang,Lin; Yamazaki,Ken; Leitch,Jamie A.; Manzano,Ruben; Atkinson,Victoria A. M.; Et Al
参考文献:Chemical Science 日期:2020 卷标:11(28) 页码:7444-7450]

2450-71-7 + 24424-99-5 = 92136-39-5
反应条件:1.1 Solvents: Tetrahydrofuran; 4 H,21 °C
标题:A Ph-Switchable Aqueous Organocatalysis With Amphiphilic Secondary Amine-Porphyrin Hybrids
作者:Arlegui,Aitor; Torres,Pol; Cuesta,Victor; Crusats,Joaquim; Moyano,Albert
参考文献:European Journal Of Organic Chemistry 日期:2020 卷标:2020(28) 页码:4399-4407]

2450-71-7 + 24424-99-5 = 92136-39-5
反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane; 18 H,Rt
标题:Design And Synthesis Of A Peptide Derivative Of Ametantrone Targeting The Major Groove Of The D(Ggcgcc)2 Palindromic Sequence
作者:Ongaro,Alberto; Ribaudo,Giovanni; Braud,Emmanuelle; Etheve-Quelquejeu,Melanie; De Franco,Michele; Et Al
参考文献:New Journal Of Chemistry 日期:2020 卷标:44(9) 页码:3624-3631]

2450-71-7 + 24424-99-5 = 92136-39-5 [标题:Reaction Conditions
标题:The Alkyne Moiety As A Latent Electrophile In Irreversible Covalent Small Molecule Inhibitors Of Cathepsin K
作者:Mons,Elma; Jansen,Ineke D. C.; Loboda,Jure; Van Doodewaerd,Bjorn R.; Hermans,Jill; Et Al
参考文献:Journal Of The American Chemical Society 日期:2019 卷标:141(8) 页码:3507-3514]

2450-71-7 + 24424-99-5 = 92136-39-5
反应条件:1.1 Solvents: Dichloromethane; 0 °C; 1 H,Rt
标题:Achiral Cyclopentadienone Iron Tricarbonyl Complexes Embedded In Streptavidin: An Access To Artificial Iron Hydrogenases And Application In Asymmetric Hydrogenation
作者:Merel,Delphine S.; Gaillard,Sylvain; Ward,Thomas R.; Renaud,Jean-Luc
参考文献:Catalysis Letters 日期:2016 卷标:146(3) 页码:564-569]

2450-71-7 + 24424-99-5 = 92136-39-5
反应条件:1.1 Catalysts: 4-(Dimethylamino)Pyridine Solvents: Dichloromethane; 0 °C; 0 °C -> Rt; 2 H,Rt
标题:Electrophile-Mediated Reactions Of Functionalized Propargylic Substrates
作者:Urbanaite,Aurelija; Jonusis,Mantas; Buksnaitiene,Rita; Balkaitis,Simonas; Cikotiene,Inga
参考文献:European Journal Of Organic Chemistry 日期:2015 卷标:2015(32) 页码:7091-7113]

2450-71-7 + 24424-99-5 = 92136-39-5
反应条件:1.1 Solvents: Dichloromethane; 0 °C; 1 H,0 °C
标题:Synthesis Of The Stereogenic Triad Of The Halicyclamine A Core
作者:Molander,Gary A.; Cadoret,Frederic
参考文献:Tetrahedron Letters 日期:2011 卷标:52(17) 页码:2199-2202]

2450-71-7 + 24424-99-5 = 92136-39-5
反应条件:1.1 Solvents: Ethyl Acetate; Cooled; Overnight,Rt
标题:Flexible Lactam Macrocyclic Molecule Useful In Treatment Of Cancer And Its Preparation
参考文献:China]

2450-71-7 + 24424-99-5 = 92136-39-5
反应条件:1.1 Reagents: Diisopropylamine Solvents: Tetrahydrofuran; Overnight,Rt
标题:Phenylethynyl-Benzamide Compounds As Glucokinase Activators And Methods For The Preparation Thereof
参考文献:Korea]

2450-71-7 + 24424-99-5 = 92136-39-5
反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane; 10 °C; 2 H,25 °C1.2 Reagents: Water
标题:Hydrogen Bonding-Directed Sequential 1,6/1,4-Addition Of Heteroatom Nucleophiles Onto Electron-Deficient 1,3-Diynes
作者:Liyanage Perera,Erandi; Lee,Daesung
参考文献:Organic Chemistry Frontiers 日期:2023 卷标:10(1) 页码:209-215]

2450-71-7 + 24424-99-5 = 92136-39-5
反应条件:1.1 Solvents: Dichloromethane; 0 °C; 30 Min,Rt
标题:Synthesis Of 1,2,3-Substituted Pyrroles From Propargylamines Via A One-Pot Tandem Enyne Cross Metathesis-Cyclization Reaction
作者:Chachignon,Helene; Scalacci,Nicolo; Petricci,Elena; Castagnolo,Daniele
参考文献:Journal Of Organic Chemistry 日期:2015 卷标:80(10) 页码:5287-5295]

2450-71-7 + 24424-99-5 = 92136-39-5
反应条件:1.1 Solvents: Tetrahydrofuran; 0 °C; 0 °C -> Rt; 2 H,Rt
标题:Direct Asymmetric α-C-H Addition Of N-Unprotected Propargylic Amines To Trifluoromethyl Ketones By Carbonyl Catalysis
作者:Ji,Pengwei; Liu,Xiaopei; Xu,Jiwei; Zhang,Xu; Guo,Jianhua; Et Al
参考文献:Angewandte Chemie 日期:2022 卷标:61(48)

二碳酸二叔丁酯置于氨,Sodium Amide,三乙胺体系中,用二氯甲烷作为反应溶剂,化学反应 24.08H,反应生成 N-Boc-氨基丙炔
参考文献:官能化亚甲基氮丙啶的合成观察
标题:官能化亚甲基氮丙啶的合成观察
摘要:通过在液氨中用酰胺钠处理由n-(2-溴-2-丙烯基)-胺7合成n-三苯基甲基-2-亚甲基氮丙啶8,并且其结构通过x射线晶体学确定.在改变的条件下,以对映体富集的形式制备(S)-N-(1-苯乙基)-2-亚甲基氮丙啶9.针对n-甲苯磺酰基和n-Boc亚甲基氮丙啶14和15的合成的研究分别揭示了该方法的局限性.
DOI:10.1016/0040-4020(96)00308-0

海关参考信息

2901292000-乙炔
2905122000-异丙醇
2905143000-叔丁醇
2912110000-甲醛
💡 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-2024261416-A1
优先权日:2023-01-31
标题:Synthesis of novel cereblon e3 ligase ligands, compounds formed thereby, and pharmaceutical compositions containing them
发明人：TANG WEIPING; XIE HAIBO; WU YUNXIANG; LIAO JUNZHUO; LI CHUNRONG; TANDON IRA; TANG HUA
权利人:WISCONSIN ALUMNI RES FOUND
摘要:Provided herein are achiral cereblon (CRBN) ligands based on phenyl dihydrouracil that have optimal binding to CRBN without having chiral carbons. Also provided herein are the proteolysis targeting chimeras (PROTACs) comprising the CRBN ligands and a protein binder, pharmaceutical compositions containing the PROTACs, and methods of treating diseases using the PROTACs.

专利号:US-6288221-B1
优先权日:1998-08-20
标题 :Methods of synthesis of halogen base-modified oligonucleotides and subsequent labeling with a metal-catalyzed reaction
发明人：GRINSTAFF MARK W; BEILSTEIN AMY E; KHAN SHOEB I
权利人:UNIV DUKE
摘要:The present invention provides metal-containing purines, pyrimidines, nucleosides, nucleotides and oligonucleotides; including phosphoramidite and photolabile derivatives thereof, including methods of making and method of using same. The present invention provides a method for detection of nucleic acid sequences via electrochemical or photochemical means.

专利号:US-11117893-B2
优先权日:2018-09-24
标题 :Methods for preparation of substituted pyridines and related novel compounds
发明人：WATKINS EDMOND BLAKE; UREDI DILIPKUMAR; MOTATI DAMODER REDDY
权利人:WATKINS EDMOND BLAKE; UREDI DILIPKUMAR; MOTATI DAMODER REDDY; UNION UNIV
摘要:The present invention relates to novel methods of preparation of substituted pyridines and the compounds produced therefrom. In particular, the present invention provides efficient methods for the construction of diversely substituted pyridines, with varying substitution patterns under simple and metal-free conditions with high atom- and pot-economy and excellent functional group tolerance, and which are useful for the synthesis of natural products.

专利号:US-12037641-B2
优先权日:2015-11-20
标题:Modified nucleotide reagents
发明人：SHEN GENE; YUE STEPHEN; SEBO LUBOMIR; BROGLEY LOUIS
权利人:PACIFIC BIOSCIENCES CALIFORNIA INC
摘要:Labeled nucleotide analogs comprising at least one avidin protein, at least one dye-labeled compound, and at least one nucleotide compound are provided. The analogs are useful in various fluorescence-based analytical methods, including the analysis of highly multiplexed optical reactions in large numbers at high densities, such as single molecule real time nucleic acid sequencing reactions. The analogs are detectable with high sensitivity at desirable wavelengths. They contain structural components that modulate the interactions of the analogs with DNA polymerase, thus decreasing photodamage and improving the kinetic and other properties of the analogs in sequencing reactions. Also provided are nucleotide and dye-labeled compounds of the subject analogs, as well as intermediates useful in the preparation of the compounds and analogs. Compositions comprising the compounds, methods of synthesis of the intermediates, compounds, and analogs, and mutant DNA polymerases are also provided.

专利号:US-2012041193-A1
优先权日:2010-08-12
标题 :Substituted internal vinyl-boronic acids and boronic acid derivatives
发明人：MATH SHIVANAND K; MOKRI HOMAYOUN H; LAMUNYON JAMES B; CEFALO DUSTIN R; TESTA CHARLES A
权利人:MATH SHIVANAND K; MOKRI HOMAYOUN H; LAMUNYON JAMES B; CEFALO DUSTIN R; TESTA CHARLES A; FRONTIER SCIENT INC
摘要:Disclosed herein are vinyl-bromides, vinyl-boronic acids and vinyl-boronic acid derivatives useful as synthetic intermediates for the preparation of therapeutic agents. Also disclosed are methods of synthesis of vinyl-bromides, vinyl-boronic acids and vinyl-boronic acid derivatives.

专利号:US-12180228-B2
优先权日:2019-06-05
标题:Compounds, conjugates, and compositions of epipolythiodiketopiperazines and polythiodiketopiperazines and uses thereof
发明人：MOVASSAGHI MOHAMMAD; OLSSON CHASE ROBERT; SCOTT TONY Z; CHEAH JAIME; PAYETTE JOSHUA NATHANIEL
权利人:MASSACHUSETTS INST TECHNOLOGY
摘要:The present disclosure provides, e.g., compounds, compositions, kits, methods of synthesis, and methods of use, involving epipolythiodiketopiperazines and polythiodiketopiperazines.

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合成参考文献

摘要:Lubell, W. D.; St-Cyr, D. J.; Dufour-Gallant, J.; Hopewell, R.; Boutard, N.; Kassem, T.; Dörr, A.; Zelli, R., Science of Synthesis Knowledge Updates, (2013) 1, 215.
摘要:Tomé, A. C., Science of Synthesis Knowledge Updates, (2015) 2, 79.
摘要:Tymoshenko, D. O., Science of Synthesis Knowledge Updates, (2012) 3, 406.
摘要:Chemla, F.; Ferreira, F.; Pérez-Luna, A., Science of Synthesis Knowledge Updates, (2012) 1, 461.
摘要:Arndtsen, B. A.; Tjutrins, J., Science of Synthesis: Multicomponent Reactions, (2013) 2, 486.