CAS: 389621-81-2; (4-(Pyrrolidine-1-Carbonyl)Phenyl)Boronic Acid

该化合物是一种有机化合物,具有附于一个苯环上的碱酸性功能组,该化合物进一步被一种丙烯-1-碳基单体所替代,其特点是能够与二醇形成可逆的共价联系,使其在包括药用化学和材料科学在内的各种应用中有用.这种生物酸组的存在使得生物系统中有可能发生相互作用,特别是在开发针对特定酶或受体的药物候选体时.此外,丙烯基苯基环有助于该化合物的消毒和电子特性,影响其再活性和溶性.通常会研究这种化合物在药物运载系统中的作用,以及通过交叉组合反应对复杂的有机分子进行合成.

英文名称(4-(Pyrrolidine-1-Carbonyl)Phenyl)Boronic Acid
中文名称(4-(吡咯烷-1-羰基)苯基)硼酸
IUPAC名称(4-(pyrrolidine-1-carbonyl)phenyl)boronic acid
其它别名4-(1-吡咯烷基羰基)苯硼酸; 4-[(1-Pyrrolidinyl)Carbonyl]Benzeneboronic Acid (Contains Varying Amounts Of Anhydride)
CAS编号389621-81-2
MFCD编号:MFCD03411950
EINECS号:688-410-1
分子式:C11H14BNO3
分子量:219.04
产品CID: 1401860
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: VKPBESPVHGDDJS-UHFFFAOYSA-N
InChI=1S/C11H14BNO3/c14-11(13-7-1-2-8-13)9-3-5-10(6-4-9)12(15)16/h3-6,15-16H,1-2,7-8H2…
计算化学: 氢键受体数3.0氢键供体数2.0可旋转键数2.0

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别严重眼刺激类别2
特定目标器官毒性 - 单次接触类别3
皮肤腐蚀/刺激类别2
警示词Warning(警告)
危险描述H319 |造成严重眼刺激.
H335 |可能引起呼吸道刺激.
H315 |造成皮肤刺激.
防范说明P264-P280-P302+P352-P362
危险品标志Xi
风险等级Irritant
安全声明26-36/37/39
危险类别码36/37/38-36

欧盟法规

C&L通报

上下游产品

4-carboxamidopyrrolidinophenyl-aniline tetrahydroxydiboron (1E,4E)-ethyl-2-(tert-butoxycarbonylamino)-8-[4-(pyrrolidine-1-carbonyl)-phenyl]-3H-benzo[b]azepine-4-carboxylate 4'-(pyrrolidine-1-carbonyl)-biphenyl-3-carboxylic acid [5-(3-ethoxy-5-trifluoromethyl-pyrazol-1-yl)-pyridin-2-yl]-amide 2-[(3R)-1-benzylpyrrolidin-3-yl]-6-[4-(pyrrolidin-1-ylcarbonyl)phenyl]-3,4-dihydroisoquinolin-1(2H)-one (tert-butoxy)-N-{4-(N,N-dipropylcarbamoyl)-8-[4-(pyrrolidinylcarbonyl)phenyl](3H-benzo[f]azepin-2-yl)}carboxamide

合成工艺路线路线简述

4-(吡咯烷-1-羰基)苯胺,四羟基二硼置于盐酸,Sodium Nitrite,Sodium Acetate体系中,用水作为反应溶剂,化学反应 0.6H,以27%的收率获得产物4-吡咯啉基羰基苯基硼酸
参考文献:Sequential One-Pot Access To Molecular Diversity Through Aniline Aqueous Borylation
标题:Sequential One-Pot Access To Molecular Diversity Through Aniline Aqueous Borylation
摘要:On The Basis Of Our Recently Reported Aniline Aqueous Borylation,Molecular Diversity Was Achieved In A One-Pot Process By Combining Other Reactions Such As Esterification,Suzuki-Miyaura Coupling,Hydrogenolysis,Or Petasis Borono-Mannich.
DOI:10.1021/jo501665E

海关参考信息

2912110000-甲醛
2912210000-苯甲醛
2924191000-二甲基甲酰胺
2921199090-其他无环单胺
💡 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-8314090-B2
优先权日:2008-11-06
标题:Methods of synthesis of benzazepine derivatives
发明人：HOWBERT J JEFFRY; KUSUKUNTLA VENKAT REDDY; TRETYAKOV ALEXANDER; NIELSEN NATHAN; KRASIK PAVEL; JIANG JI-LONG; YANG HONG WOON
权利人:HOWBERT J JEFFRY; KUSUKUNTLA VENKAT REDDY; TRETYAKOV ALEXANDER; NIELSEN NATHAN; KRASIK PAVEL; JIANG JI-LONG; YANG HONG WOON; VENTIRX PHARMACEUTICALS INC; ARRAY BIOPHARMA INC
摘要:The disclosure describes method of synthesis of substituted benzazepine derivatives. Preferred methods according to the disclosure allow for large-scale preparation of benzazepine compounds having low levels of metal impurities. In some embodiments, preferred methods according to the disclosure also allow for the preparation of benzazepine derivatives without the use of chromatographic purification methods and in better yield than previously used methods for preparing such compounds. The methods disclosed herein find utility in synthetic organic chemistry as well as medicinal chemistry.

专利号:ES-2705101-T3
优先权日:2008-11-06
标题:Methods of synthesis of benzazepine derivatives

专利号:CA-2742863-C
优先权日:2008-11-06
标题 :Methods of synthesis of benzazepine derivatives

专利号:AU-2009313392-B2
优先权日:2008-11-06
标题 :Methods of synthesis of benzazepine derivatives

专利号:EP-2358683-A1
优先权日:2008-11-06
标题 :Methods of synthesis of benzazepine derivatives

专利号:AU-2009313392-A1
优先权日:2008-11-06
标题:Methods of synthesis of benzazepine derivatives