CAS: 1009075-44-8; Tert-Butyl ((1R,3R)-3-Aminocyclopentyl)Carbamate

该化合物是受三丁基碳基(Boc)组保护的甲型环戊胺衍生物,其立体特性(1R,3R)使其在非对称合成中成为有价值的中间体,特别是制药和生物活性化合物. Boc组增强了稳定性,允许在轻酸条件下有选择地取消保护,这在多步骤合成路线上是有利的.该复合体的硬性环丙基骨有助于目标分子的一致控制,改善药物设计的选择性.其高纯度和定义明确的立体化学学确保了研究和工业应用的可复制性,从而成为了对小分子的改良和小分子治疗的首选.

英文名称Tert-Butyl ((1R,3R)-3-Aminocyclopentyl)Carbamate
中文名称N-[(1R,3R)-3-氨基环戊基]氨基甲酸叔丁酯
IUPAC名称tert-butyl ((1R,3R)-3-aminocyclopentyl)carbamate
其它别名Tert-Butyl N-[(1R,3R)-3-Aminocyclopentyl]Carbamate; Tert-Butyl ((1R,3R)-3-Aminocyclopentyl)Carbamate; ((1R,3R)-3-Amino-Cyclopentyl)-Carbamic Acid Tert-Butyl Ester; Tert-Butyl Rac-[(1R,3R)-3-Aminocyclopentyl] Carbamate; Carbamic Acid,N-[(1R,3R)-3-Aminocyclopentyl]-, 1,1-Dimethylethyl Ester; (1R,3R)-3-Amino-1-(Boc-Amino)Cyclopentane
CAS编号1009075-44-8
MFCD编号:MFCD16037624
EINECS号:830-561-4
分子式:C10H20N2O2分子量:200.28
产品CID: 20122
产品分类有机原料 → 羧酸类化合物及衍生物 → 羧酸酯及其衍生物

相似结构搜索
InChIKey: PGBVMVTUWHCOHX-HTQZYQBOSA-N
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-5-4-7(11)6-8/h7-8H,4-6,11H2,1-3H3,(H,12,13)/t7-,8-/m1/s1
计算化学: 氢键受体数3.0氢键供体数2.0可旋转键数3.0

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(经皮)
严重眼刺激类别2
警示词Warning(警告)
危险描述H312 |皮肤接触有害.
H319 |造成严重眼刺激.
防范说明P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

欧盟法规

C&L通报

上下游产品

((1R,3R)-3-Allyloxycarbonylamino-Cyclopentyl)-Carbamic Acid Tert-Butyl Ester 1315495-80-7
(1R,3R)-N-Boc-1-氨基环戊烷-3-甲酸 (1R,3R)-3-((Tert-Butoxycarbonyl)Amino)Cyclopentanecarboxylic Acid 489446-85-7

合成工艺路线路线简述

合成目标产物 Tert-Butyl N-[(1R,3R)-3-Aminocyclopentyl]Carbamate 主要起始原料 Carbamic Acid, N-[(1R,3R)-3-[[(1,1-Dimethylethoxy)Carbonyl]Amino]Cyclopentyl]-, 2-Propen-1-Yl Ester
(文献来源)合成步骤主要原料 Carbamic Acid, N-[(1R,3R)-3-[[(1,1-Dimethylethoxy)Carbonyl]Amino]Cyclopentyl]-, 2-Propen-1-Yl Ester

📜(1R,3R)-N-Boc-1-氨基环戊烷-3-甲酸置于四(三苯基膦)钯,1,3-二甲基巴比妥酸,叠氮磷酸二苯酯,三乙胺体系中,用二氯甲烷,甲苯用作溶剂,化学反应 21.5H,反应生成N-[(1R,3R)-3-氨基环戊基]氨基甲酸叔丁酯
参考文献: Tricyclic Heterocyclic Compounds,Compositions And Methods Of Use Thereof As Jak Inhibitors[fr] Composés Hétérocycliques Tricycliques,Compositions Et Procédés D'Utilisation De Ces Composés Comme Inhibiteurs Des Jak
标题: Tricyclic Heterocyclic Compounds,Compositions And Methods Of Use Thereof As Jak Inhibitors[fr] Composés Hétérocycliques Tricycliques,Compositions Et Procédés D'Utilisation De Ces Composés Comme Inhibiteurs Des Jak
摘要:这项发明提供了具有一般公式(I)的新化合物,其具有以下通式:其中r1,R2,R3,X和y如本文所述.因此,这些化合物可以以药学上可接受的组合物形式提供,并用于治疗免疫性或过度增殖性疾病.

专利信息

专利号:WO-2022162606-A1
优先权日:2021-01-30
标题:Heterocyclic compounds as kinase inhibitor and uses thereof
发明人：YAN ZHIYU; WANG XIAOHUI; LIU HANLAN; KHAN PASHA M; PANPATIL DAYANAND; PUJALA BRAHMAM; PENDHARKAR DHANANJAY; JADHAVAR PRADEEP S; SAEED UZMA; KUMAR VIVEK
权利人:SPEROGENIX THERAPEUTICS LTD; INTEGRAL BIOSCIENCES PRIVATE LTD
摘要:The present disclosure relates generally to compounds useful in treatment of conditions associated with Checkpoint kinase (CHK), particularly CHK-1 enzymes. Specifically, the present invention discloses compound of formula (J), which exhibits inhibitory activity against CHK-1 enzymes. Methods of treating conditions associated with excessive activity of CHK-1 enzymes such as cancer, idiopathic pulmonary fibrosis (IPF) and pulmonary arterial hypertension (PAH) with such compounds is disclosed. Uses thereof, pharmaceutical compositions, kits and method of synthesis also disclosed. Formula (J)