1.1
Reagents:
Sodium hydride
Solvents:
Dimethylformamide
;
1 h, rt; rt → 0 °C
1.2
3 h, 0 °C
基本信息
CAS号：
96546-77-9
分子式：
C15H12BrNO2S
分子量：
350.230281829834
名称与标识
名称
中文别名：
N-甲苯磺酰-5-溴吲哚;
英文别名：
1H-Indole, 5-bromo-1-[(4-methylphenyl)sulfonyl]-;5-Bromo-1-[(4-methylphenyl)sulfonyl]-1H-indole;5-bromo-1-(p-toluenesulfonyl)-1H-indole;N-tosyl-5-bromoindole;5-Bromo-1-[(4-methylphenyl)sulfonyl]-1H-indole (ACI);5-Bromo-1-(4-methylphenylsulfonyl)indole;5-Bromo-1-p-toluenesulfonyl-1H-indole;5-Bromo-1-tosyl-1H-indole;5-Bromo-1-tosylindole;5-Bromo-N-tosylindole;
标识符
MDL：
MFCD20486680
InChIKey：
CMQRWXUQAKCCAK-UHFFFAOYSA-N
Inchi：
1S/C15H12BrNO2S/c1-11-2-5-14(6-3-11)20(18,19)17-9-8-12-10-13(16)4-7-15(12)17/h2-10H,1H3
SMILES：
O=S(N1C2C(=CC(=CC=2)Br)C=C1)(C1C=CC(C)=CC=1)=O
物化性质
计算特性
- 氢键供体数量 : 0
- 氢键受体数量 : 3
- 可旋转化学键数量 : 2
- 重原子数量 : 20
N-甲苯磺酰-5-溴吲哚(96546-77-9)推荐厂家 更多厂家(6)
| 公司名称 | 手机号/电话 | 联系人 | 微信 | 询单 | |
|---|---|---|---|---|---|
| 赫澎（上海）生物科技有限公司 | 13122891558 186-16545970 | 张硕 |  3418426269 |   | 询单 |
| 上海吉至生化科技有限公司 | 18117592386 021-57481218 | 吉至试剂 | 3007522982 |   | 询单 |
| 上海一基实业有限公司 | 13311756052 021-60526763 13311756052 13311756131 | 胡经理 | 2355265332 |  | 询单 |
| 上海一基实业有限公司 | 13311756131 021-60548336 QQ：2355265332 QQ:2851717387 | 胡经理 | 2355265332 |  | 询单 |
| 上海源叶生物科技有限公司 | 15026964105 15026964105 | 汤思磊 | 2881489226 |   | 询单 |
合成路线
合成路线：1 步
参考文献：
- Pim kinase inhibitory and antiproliferative activity of a novel series of meridianin C derivatives, Bioorganic & Medicinal Chemistry Letters, 2014, 24(11), 2424-2428
合成路线：1 步
1.1
Reagents:
Sodium hydride
Solvents:
Dimethylformamide
;
1 h, 0 °C
1.2 Solvents: Dimethylformamide ; 4.5 h, rt
1.3 Reagents: Water Solvents: Water
1.2 Solvents: Dimethylformamide ; 4.5 h, rt
1.3 Reagents: Water Solvents: Water
参考文献：
- Alkynyl alcohols as kinase inhibitors and their preparation, pharmaceutical compositions and use in the treatment of inflammation and inflammatory disorders, World Intellectual Property Organization, , ,
合成路线：1 步
参考文献：
- Preparation of pyrazolo[3,4-c]quinoline compounds as phosphatidylinositol 3 kinase inhibitors for therapeutic applications, World Intellectual Property Organization, , ,
合成路线：1 步
1.1
Reagents:
Potassium hydroxide
Catalysts:
Tetrabutylammonium hydrogen sulfate
Solvents:
Toluene
,
Water
;
15 min, rt
1.2 Solvents: Toluene ; 0 °C; 2 h, rt
1.2 Solvents: Toluene ; 0 °C; 2 h, rt
参考文献：
- Marine-natural-products for biocides development: first discovery of meridianin alkaloids as antiviral and anti-phytopathogenic-fungus agents, Pest Management Science, 2020, 76(10), 3369-3376
合成路线：1 步
1.1
Reagents:
Sodium hydride
Solvents:
Acetonitrile
;
10 min, 0 °C
1.2 0 °C → rt; 4 h, rt
1.3 Reagents: Ammonium chloride Solvents: Water ; rt
1.2 0 °C → rt; 4 h, rt
1.3 Reagents: Ammonium chloride Solvents: Water ; rt
参考文献：
- Optimization, Structure-Activity Relationship, and Mode of Action of Nortopsentin Analogues Containing Thiazole and Oxazole Moieties, Journal of Agricultural and Food Chemistry, 2019, 67(36), 10018-10031
合成路线：1 步
1.1
Reagents:
Potassium hydroxide
Catalysts:
Tetrabutylammonium hydrogen sulfate
Solvents:
Toluene
,
Water
;
4 h, rt
参考文献：
- Palladium Catalyzed Cyclizations of Oxime Esters with 1,2-Disubstituted Alkenes: Synthesis of Dihydropyrroles, Organic Letters, 2013, 15(17), 4616-4619
合成路线：1 步
1.1
Reagents:
Potassium hydroxide
,
Tetrabutylammonium hydrogen sulfate
Solvents:
Toluene
,
Water
;
rt; overnight, rt
参考文献：
- Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds, World Intellectual Property Organization, , ,
合成路线：1 步
1.1
Reagents:
Sodium hydride
Solvents:
Tetrahydrofuran
;
2 min, cooled; 12 min, cooled
1.2 20 h, rt
1.2 20 h, rt
参考文献：
- Room-Temperature Gold-Catalysed Arylation of Heteroarenes: Complementarity to Palladium Catalysis, Chemistry - A European Journal, 2016, 22(36), 12641-12645
合成路线：1 步
1.1
Reagents:
Sodium hydroxide
Catalysts:
Tetrabutylammonium hydrogen sulfate
Solvents:
Dichloromethane
,
Water
;
45 min, rt
1.2 Reagents: Water ; rt
1.2 Reagents: Water ; rt
参考文献：
- Enantioselective Organo-SOMO Cascade Cycloadditions: A Rapid Approach to Molecular Complexity from Simple Aldehydes and Olefins, Journal of the American Chemical Society, 2010, 132(29), 10015-10017
合成路线：1 步
1.1
Reagents:
Sodium hydride
Solvents:
Dimethylformamide
;
30 min, 0 °C
1.2 Solvents: Dimethylformamide ; 0 °C; 30 min, 0 °C
1.2 Solvents: Dimethylformamide ; 0 °C; 30 min, 0 °C
参考文献：
- Preparation of 5-cyanoindole, China, , ,
合成路线：1 步
1.1
Reagents:
Sodium hydroxide
,
Tetrabutylammonium hydrogen sulfate
Solvents:
Dichloromethane
,
Water
;
rt; 3 h, rt
参考文献：
- Towards the syntheses of N-H and N-alkylated derivatives of meridianins, Journal of Heterocyclic Chemistry, 2007, 44(4), 793-801
合成路线：1 步
1.1
Reagents:
Sodium hydride
Solvents:
Dimethylformamide
;
30 min, 0 - 5 °C
1.2 Solvents: Dimethylformamide ; 0 - 5 °C; rt; 1 h, rt
1.2 Solvents: Dimethylformamide ; 0 - 5 °C; rt; 1 h, rt
参考文献：
- Preparation of 4-(indol-3-yl)-2-aminopyrimidine compound as IDH1/R132H inhibitor, China, , ,
合成路线：1 步
1.1
Reagents:
Sodium hydride
Solvents:
Dimethylformamide
;
0 °C; 1 h, rt
1.2 Solvents: Dimethylformamide ; 2 h, 0 °C
1.2 Solvents: Dimethylformamide ; 2 h, 0 °C
参考文献：
- Discovery of novel indoleaminopyrimidine NIK inhibitors based on molecular docking-based support vector regression (SVR) model, Chemical Physics Letters, 2019, 718, 38-45
![（2R，3R，8S，14R）-2,8-双（4-羟基苯基）-3,4-二氢-2H，14H-8,14-甲氧基色氨酸[7,8-d][1,3]苯并二氧辛-3,5,11,13,15-戊醇](http://hg.y866.cn/compound/lib/scimg/cas/150/82796-37-0.png "（2R，3R，8S，14R）-2,8-双（4-羟基苯基）-3,4-二氢-2H，14H-8,14-甲氧基色氨酸[7,8-d][1,3]苯并二氧辛-3,5,11,13,15-戊醇")
