CAS: 86499-23-2; 3-Chloro-4,5-Dihydro-1H-Benzo[b]Azepin-2(3H)-One

英文名称3-Chloro-4,5-Dihydro-1H-Benzo[b]Azepin-2(3H)-One
中文名称3-氯-1,3,4,5-四氢-苯并[b]氮杂-2-酮
IUPAC名称3-chloro-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one
其它别名3-氯-1,3,4,5-四氢-2H-1-苯并氮杂卓-2-酮; 3-Chloro-2,3,4,5-Tetrahydro-2H-1-Benzazepin-2-One
CAS编号86499-23-2
MFCD编号:MFCD09260932
分子式:C10H10ClNO分子量:195.65
产品CID: 1867186
产品分类有机原料→分子砌块→芳杂环类化合物→其它芳杂环类化合物

相似结构搜索
InChIKey: VOEMRDMQXDUFDU-UHFFFAOYSA-N
InChI=1S/C10H10ClNO/c11-8-6-5-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5-6H2,(H,12,13)
计算化学: 氢键受体数1.0氢键供体数1.0可旋转键数0.0

物理性质

熔点164-167 °C
沸点379.5±42.0 °C at 760 mmHg
闪点183.3±27.9 °C
密度1.3±0.1 g/cm3
pKa:13.59±0.40(预测)
PSA:29.1
LogP:2.1787
折射率1.589
蒸汽压0.0±0.9 mmHg at 25°C
储存条件室温，干燥环境
产品应用该化合物用作合成抗血压药物BENAZEPRIL,一种抗血膜素-抗逆转录酶抑制剂(ACE抑制剂).

上下游产品

CAS号86499-22-1 3,3-二氯-2,3,4,5-... | CAS号4424-80-0 1,3,4,5-四氢-2H-1... | CAS号86541-78-8 苯那普利拉 | CAS号86541-74-4 盐酸贝那普利 | CAS号86541-77-7 盐酸贝那普利

合成工艺路线路线简述

86499-22-1 = 86499-23-2
反应条件:1.1 Reagents: Sodium Carbonate Catalysts: Palladium Solvents: Tetrahydrofuran1.2 Reagents: Sodium Hypophosphite Solvents: Water
标题:Mild Hydrogen-Transfer Reductions Using Sodium Hypophosphite
作者:Boyer,Stephen K.; Et Al
参考文献:Journal Of Organic Chemistry 日期:1985 卷标:50(18) 页码:3408-11]

529-34-0 = 86499-23-2
反应条件:1.1 Reagents: Hydroxyamine Hydrochloride Solvents: Tetrahydrofuran1.2 Solvents: Water; 100 °C2.1 Reagents: Phosphorus Pentachloride Solvents: Benzene; 100 °C
标题:Preparation Of Triazolobenzazepinone Derivatives As γ-Secretase Modulators
作者:Fischer,Christian; Et Al
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2015 卷标:25(17) 页码:3488-3494]

4424-80-0 = 86499-23-2
反应条件:1.1 Reagents: Phosphorus Pentachloride Solvents: Benzene; 100 °C
标题:Preparation Of Triazolobenzazepinone Derivatives As γ-Secretase Modulators
作者:Fischer,Christian; Et Al
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2015 卷标:25(17) 页码:3488-3494]

4424-80-0 = 86499-23-2
反应条件:1.1 Reagents: Phosphorus Pentachloride Solvents: Xylene2.1 Reagents: Sodium Acetate,Hydrogen Catalysts: Palladium Solvents: Acetic Acid
标题:Synthesis And Biological Properties Of (Carboxyalkyl)Amino-Substituted Bicyclic Lactam Inhibitors Of Angiotensin Converting Enzyme
作者:Watthey,Jeffrey W. H.; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:1985 卷标:28(10) 页码:1511-16]

86499-22-1 = 86499-23-2
反应条件:1.1 Reagents: Sodium Acetate,Hydrogen Catalysts: Palladium Solvents: Acetic Acid
标题:Synthesis And Biological Properties Of (Carboxyalkyl)Amino-Substituted Bicyclic Lactam Inhibitors Of Angiotensin Converting Enzyme
作者:Watthey,Jeffrey W. H.; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:1985 卷标:28(10) 页码:1511-16

📜1,3,4,5-四氢-2H-1-苯并氮杂卓-2-酮置于palladium On Activated Charcoal 五氯化磷,氢气,Sodium Acetate体系中,用溶剂黄146,Xylene 作为反应溶剂,25.0~90.0 °C,101.33 Kpa 条件下,反应 1.0H,反应生成 3-氯-1,3,4,5-四氢-2H-1-苯并氮杂卓-2-酮
参考文献:血管紧张素转化酶的(羧基烷基)氨基取代的双环内酰胺抑制剂的合成及其生物学性质.
标题:血管紧张素转化酶的(羧基烷基)氨基取代的双环内酰胺抑制剂的合成及其生物学性质.
摘要:有效的血管紧张素转化酶抑制剂(3S)-1-(羧甲基)-3-[[(1S)-1-羧-3-苯基丙基]氨基]-2,3,4,5-四氢-1H-[的合成1]苯并ze庚因-2-酮(4B; Cgs 14831)和相关的单酯前药(17A; Cgs 14824A)与六元和八元环类似物的制备细节一起进行了描述.讨论了化合物的抑制能力和体内生物学活性.数据表明17A具有与依那普利相当的生物学特性.
DOI:10.1021/jm00148A023

海关参考信息

2902600000-乙苯
2912110000-甲醛
2912120000-乙醛
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:US-4410520-A
优先权日:1981-11-09
标题 :3-Amino-[1]-benzazepin-2-one-1-alkanoic acids
发明人：WATTHEY JEFFREY W H
权利人:CIBA GEIGY CORP
摘要:Variously substituted 1-carboxymethyl-3-(carboxymethylamino)-2,3,4,5-tetrahydro-1H-[1]benzaz epin-2-ones and functional derivatives are angiotension converting enzyme inhibitors and are useful as antihypertensive agents. Synthesis of, compositions and methods of treatment utilizing such compounds are included.

专利号:US-4575503-A
优先权日:1983-02-10
标题:3-Amino-[1]-benzazepin-2-one-1-alkanoic acids
发明人：WATTHEY JEFFREY W H
权利人:CIBA GEIGY CORP
摘要:Variously substituted 1-carboxymethyl-3-(carboxymethylamino)-2,3,4,5-tetrahydro-1H-[1]benzaz epin-2-ones and functional derivatives are angiotensin converting enzyme inhibitors and are useful as antihypertensive agents. Synthesis of, compositions and methods of treatment utilizing such compounds are included.

专利号:US-4473575-A
优先权日:1982-07-19
标题 :3-Amino-(1)-benzazepin-2-one-1-alkanoic acids
发明人：WATTHEY JEFFREY W H
权利人:CIBA GEIGY CORP
摘要:Variously substituted 1-carboxymethyl-3-(carboxymethylamino)-2,3,4,5-tetrahydro-1H-[1]benzaz epin-2-ones and functional derivatives are angiotensin converting enzyme inhibitors and are useful as antihypertensive agents. Synthesis of, compositions and methods of treatment utilizing such compounds are included.

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主要参考文献

参考标题:3-Amino-[1]-Benzazepin-2-One-1-Alkanoic Acids
摘要:Variously Substituted 1-Carboxymethyl-3-(Carboxymethylamino)-2,3,4,5-Tetrahydro-1H-[1]Benzazepin -2-Ones And Functional Derivatives Are Angiotensin Converting Enzyme Inhibitors And Are Useful As Antihypertensive Agents. Synthesis Of, Compositions And Methods Of Treatment Utilizing Such Compounds Are Included.