CAS: 920966-03-6; 4-Chloro-1H-Pyrrolo[2,3-B]Pyridine-5-Carboxylic Acid

该化合物是一种环环状化合物,其内含含有氯和碳酸功能组的导火线的环球核芯,具有氯和碳酸功能组.这一结构使该化合物成为制药和农用化学合成中的宝贵中间体,特别是用于开发动脉抑制剂和其他生物活性分子.该替代物质可增强进一步衍生的再活动,而碳箱酸组则允许多种改变,如氨化或酯形成.其硬性双环状框架有助于在药用化学应用中具有约束性选择性.该化合物由于其敏感性,通常在受控制的条件下进行处理.可高纯度用于研究和工业用途,确保合成工作流程的一贯性.

英文名称4-Chloro-1H-Pyrrolo[2,3-B]Pyridine-5-Carboxylic Acid
中文名称4-氯-1H-吡咯并[2,3-b]吡啶-5-羧酸
IUPAC名称4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
其它别名4-氯-1H-吡咯[2,3-B]吡啶-5-羧酸; 4-Chloro-1H-Pyrrolo[2,3-B]Pyridine-5-Carboxylic Acid; T56 Bm Inj Fg Gvq
CAS编号920966-03-6
MFCD编号:MFCD10574983
EINECS号:690-806-4
分子式:C8H5ClN2O2分子量:196.59
产品CID: 1958898
产品分类有机原料→分子砌块→芳杂环类化合物→吡啶类化合物

相似结构搜索
InChIKey: SJZMFAGWKZNYPX-UHFFFAOYSA-N
InChI=1S/C8H5ClN2O2/c9-6-4-1-2-10-7(4)11-3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
计算化学: 氢键受体数2.0氢键供体数2.0可旋转键数1.0

相似化合物

2448475-28-1 920966-02-5 958230-19-8

物理性质

密度1.644±0.06 g/cm3(预测)
pKa:0.70±0.30(预测)
PSA:65.98
LogP:1.9145
外观形态固体
储存条件置于阴暗处,密封, 常温干燥保存
产品应用该化合物用作合成(S)-4-(3-(2,2,2-三氟乙基碳酸乙基)-1-YL)-1H-丙洛[2)-丙酮[3-B]-5-氯本沙米,一种日本航空研究公司家族抑制剂.

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(吸入)
急性毒性类别4(经皮)
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
警示词Warning(警告)
危险描述H332 |吸入有害.
H312 |皮肤接触有害.
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.
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
危险品标志Xn
危险类别码22
WGK Germany3

欧盟法规

ECHA物质C&L通报

上下游产品

4-氯-1H-吡咯并[2,3-B]吡啶-5-羧酸乙酯 Ethyl 4-Chloro-1H-Pyrrolo[2,3-B]Pyridine-5-Carboxylate 885500-55-0
4-氯-1-(三异丙基甲硅烷基)-1H-吡咯并[2,3-B]吡啶-5-甲酸乙酯 Ethyl 4-Chloro-1-(Triisopropylsilyl)-7-Azaindole-5-Carboxylate 1310704-15-4

合成工艺路线路线简述

885500-55-0 = 920966-03-6
反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water; 1.5 H,60 °C; 60 °C -> 4 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; 4 °C
标题:Synthesis And Evaluation Of 1H-Pyrrolo[2,3-B]Pyridine Derivatives As Novel Immunomodulators Targeting Janus Kinase 3
作者:Nakajima,Yutaka; Tojo,Takashi; Morita,Masataka; Hatanaka,Keiko; Shirakami,Shohei; Et Al
参考文献:Chemical & Pharmaceutical Bulletin 日期:2015 卷标:63(5) 页码:341-353]

1310704-15-4 = 920966-03-6
反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water; Rt; 2 H,60 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 4,0 °C
标题:Preparation Of 7-Azaindole Derivatives Useful As Janus Kinase (Jak) Family Inhibitors
参考文献:World Intellectual Property Organization]

651744-48-8 = 920966-03-6
反应条件:1.1 Reagents: Sec-Butyllithium Solvents: Tetrahydrofuran,Cyclohexane; 10 Min,-70 °C1.2 1 H,0 - 10 °C
标题:Preparation Of 4-Halopyrrolo[2,3-B]Pyridine-5-Carboxylic Acids And Their Intermediates
参考文献:Japan]

2673407-32-2 = 920966-03-6
反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methanol,Tetrahydrofuran,Water; 16 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 7
标题:Preparation Of Substituted (Aza)Benzimidazole-,Indole-,Quinolinecarboxamides And Analogs As Pgdh Inhibitors
参考文献:World Intellectual Property Organization]

2673407-32-2 = 920966-03-6
反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Tetrahydrofuran,Water; 16 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 7,Rt
标题:Preparation Of 1H-Pyrrolo[2,3-B]Pyridine Derivatives As Pgdh Inhibitors And Inhalation Formulations Thereof
参考文献:World Intellectual Property Organization]

= 920966-03-6 [标题:Reaction Conditions
标题:Preparation Of As Azolopyridines As Inhibitors Of Jak3 Janus Protein Kinase.
参考文献:World Intellectual Property Organization

📜4-氯-1-(三异丙基甲硅烷基)-1H-吡咯并[2,3-B]吡啶-5-甲酸乙酯置于盐酸,水,Sodium Hydroxide体系中,用乙醇作为反应溶剂,化学反应 2.0H,以77%的收率获得产物4-氯-1H-吡咯并[2,3-B]吡啶-5-羧酸
参考文献:Ep3919494
标题:Ep3919494