85696-95-3 (4-氨基-N-甲基吲哚,1-Methyl-1H-indol-4-amine)

快速询单

结构式：

4-氨基-N-甲基吲哚MOL文件

CAS号：

85696-95-3

中文名称：

4-氨基-N-甲基吲哚

英文名称：

1-Methyl-1H-indol-4-amine

分子式：

C₉H₁₀N₂

分子量：

146.189101696014

4-氨基-N-甲基吲哚(85696-95-3)名称与标识符

名称

中文别名：

4-氨基-N-甲基吲哚;

英文别名：

1-Methyl-1H-indol-4-amine;1-Methyl-1H-indol-4-ylamine;1-methylindol-4-amine;1-METHYL-1H-INDOLE-4-AMINE;1-methyl-4-indolamine;4-amino-1-methylbenzoindole;4-amino-1-methylindole;4-amino-N-methyl-indole;4-Amino-N-methylindole;N1-methyl-4-aminoindole;N-methyl-4-aminoindole;1-Methyl-1H-indol-4-amine (ACI);1-Methyl-4-aminoindole;SY101326;DTXSID00623177;4-Amino-1-methyl-1H-indole;CS-0061752;ODOJPFQQFJVNMD-UHFFFAOYSA-N;1-Methyl-1H-indol-4-ylamine, AldrichCPR;MFCD08061153;EN300-65947;1-methyl-4-amino-indole;AKOS005362527;AB43235;1H-INDOL-4-AMINE, 1-METHYL-;AS-35811;STL146395;85696-95-3;SCHEMBL736739;BBL036797;

标识符

MDL：

MFCD08061153

InChIKey：

ODOJPFQQFJVNMD-UHFFFAOYSA-N

Inchi：

1S/C9H10N2/c1-11-6-5-7-8(10)3-2-4-9(7)11/h2-6H,10H2,1H3

SMILES：

NC1C2C=CN(C=2C=CC=1)C

4-氨基-N-甲基吲哚(85696-95-3)物化性质

实验特性

LogP : 2.34170
PSA : 30.95000
折射率 : 1.62
沸点 : 328.036 °C at 760 mmHg
闪点 : 328.036 °C at 760 mmHg
颜色与性状 : Yellow to Brown Sticky Oil to Semi-Solid
密度 : 1.151

计算特性

精确分子量 : 146.08400
氢键供体数量 : 1
氢键受体数量 : 2
可旋转化学键数量 : 0
同位素质量 : 146.084
重原子数量 : 11
复杂度 : 147
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1.3
拓扑分子极性表面积 : 31A^2

4-氨基-N-甲基吲哚(85696-95-3)安全信息

4-氨基-N-甲基吲哚(85696-95-3)海关数据

海关编码：

2933990090

海关数据：

中国海关编码：

2933990090

概述：

2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素：

品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期

Summary：

2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4-氨基-N-甲基吲哚(85696-95-3)推荐厂家更多厂家(14)

公司名称	手机号/电话	联系人	QQ	询单
上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
上海绩祥生物科技有限公司	13093077543	陆经理	3985448220	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
深圳市瑞吉特生物科技有限公司	15813841136 0755-89459231	钦先生	1029374309	询单
南通众合化工新材料有限公司	18762756250 0513-55074056	胡经理	2369399482	询单
上海腾准生物科技有限公司	19821570922 021-34053661	张经理	3003871136	询单
金锦乐（湖南）化学有限公司		金锦乐	1226360695	询单
JACS-郑州杰克斯化工产品有限公司	15981966935 0371-86259281	杰克斯JACS	893596907	询单
江苏艾康生物医药研发有限公司	18795912720 025-66061636	杨情情	3004779232	询单
上海吉至生化科技有限公司	18117592386 021-57481218	吉至试剂	3007522982	询单

4-氨基-N-甲基吲哚(85696-95-3)合成路线

合成路线：1 步

91482-63-2

_99%

85696-95-3

反应条件：

1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol ; overnight, rt

参考文献：

Discovery of a New Class of Anilinoquinazoline Inhibitors with High Affinity and Specificity for the Tyrosine Kinase Domain of c-Src

Ple, Patrick A.; et al, Journal of Medicinal Chemistry, 2004, 47(4), 871-887

合成路线：1 步

91482-63-2

_85%

85696-95-3

反应条件：

1.1 Reagents: Iron , Hydrochloric acid Solvents: Ethanol , Water ; reflux; 1 h, reflux
1.2 Reagents: Ammonia Solvents: Water ; neutralized

参考文献：

Unexpected synthesis of azepino[4,3,2-cd]indoles from 4-aminoindoles

Halaiev, Olexandr; et al, Tetrahedron Letters, 2017, 58(13), 1324-1325

合成路线：1 步

91482-63-2

_61%

85696-95-3

反应条件：

1.1 Reagents: Hydrochloric acid , Titanium chloride (TiCl3) Solvents: Acetic acid , Water ; heated; 2 h, rt
1.2 Reagents: Sodium hydroxide Solvents: Water ; basified, rt

参考文献：

Synthesis and in Vitro and in Vivo Antitumor Activity of 2-Phenylpyrroloquinolin-4-ones

Ferlin, Maria Grazia; et al, Journal of Medicinal Chemistry, 2005, 48(9), 3417-3427

合成路线：1 步

85696-93-1

_75%

85696-95-3

反应条件：

1.1 Reagents: p-Toluenesulfonic acid Solvents: Toluene , Water

参考文献：

An unexpected rearrangement of 4-alkylaminoindoles

Ley, Steven V.; et al, Journal of the Chemical Society, 1982, (23), 1356-7

合成路线：1 步

85696-93-1

_75%

85696-95-3

反应条件：

1.1 Reagents: p-Toluenesulfonic acid monohydrate Solvents: Toluene

参考文献：

Approaches to the synthesis of teleocidins A and B

Porter, Roderick Alan, 1982, , ,

合成路线：2 步

4769-97-5

74-88-4

85696-95-3

反应条件：

1.1 Reagents: Sodium hydride Solvents: Dimethylformamide ; 30 min, 0 °C
1.2 14 h, rt
1.3 Reagents: Water ; rt
2.1 Reagents: Iron , Hydrochloric acid Solvents: Ethanol , Water ; reflux; 20 h, reflux
2.2 Reagents: Sodium bicarbonate Solvents: Water

参考文献：

Regioselective Radical Arene Amination for the Concise Synthesis of ortho-Phenylenediamines

Gillespie, James E.; et al, Journal of the American Chemical Society, 2021, 143(25), 9355-9360

合成路线：2 步

4769-97-5

74-88-4

85696-95-3

反应条件：

1.1 Reagents: Sodium hydride Solvents: Dimethylformamide ; cooled
1.2 4 h, rt
2.1 Reagents: Iron , Hydrochloric acid Solvents: Ethanol , Water ; reflux; 1 h, reflux
2.2 Reagents: Ammonia Solvents: Water ; neutralized

参考文献：

Unexpected synthesis of azepino[4,3,2-cd]indoles from 4-aminoindoles

Halaiev, Olexandr; et al, Tetrahedron Letters, 2017, 58(13), 1324-1325

合成路线：2 步

819850-13-0

85696-95-3

反应条件：

1.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran
2.1 Reagents: p-Toluenesulfonic acid monohydrate Solvents: Toluene

参考文献：

Approaches to the synthesis of teleocidins A and B

Porter, Roderick Alan, 1982, , ,

合成路线：2 步

85696-97-5

85696-95-3

反应条件：

1.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran
2.1 Reagents: p-Toluenesulfonic acid monohydrate Solvents: Toluene

参考文献：

Approaches to the synthesis of teleocidins A and B

Porter, Roderick Alan, 1982, , ,

合成路线：3 步

115118-93-9

95-92-1

85696-95-3

反应条件：

1.1 Reagents: Potassium ethoxide Solvents: Dimethyl sulfoxide , Dimethylformamide ; 0 °C; 24 h, 40 °C
2.1 Reagents: Potassium hydroxide Solvents: Acetone ; 0 °C; 2 h, rt
3.1 Reagents: Hydrochloric acid , Titanium chloride (TiCl3) Solvents: Acetic acid , Water ; heated; 2 h, rt
3.2 Reagents: Sodium hydroxide Solvents: Water ; basified, rt

参考文献：

Synthesis and in Vitro and in Vivo Antitumor Activity of 2-Phenylpyrroloquinolin-4-ones

Ferlin, Maria Grazia; et al, Journal of Medicinal Chemistry, 2005, 48(9), 3417-3427

合成路线：3 步

反应条件：

1.1 Reagents: Triethylamine Solvents: tert-Butanol
2.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran
3.1 Reagents: p-Toluenesulfonic acid monohydrate Solvents: Toluene

参考文献：

Approaches to the synthesis of teleocidins A and B

Porter, Roderick Alan, 1982, , ,

合成路线：3 步

5192-23-4

2258-42-6

85696-95-3

反应条件：

1.1 Solvents: Tetrahydrofuran
2.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran
3.1 Reagents: p-Toluenesulfonic acid monohydrate Solvents: Toluene

参考文献：

Approaches to the synthesis of teleocidins A and B

Porter, Roderick Alan, 1982, , ,

合成路线：4 步

603-83-8

122-51-0

85696-95-3

反应条件：

1.1 Catalysts: p-Toluenesulfonic acid Solvents: Triethyl orthoformate ; 120 °C
2.1 Reagents: Potassium ethoxide Solvents: Dimethyl sulfoxide , Dimethylformamide ; 0 °C; 24 h, 40 °C
3.1 Reagents: Potassium hydroxide Solvents: Acetone ; 0 °C; 2 h, rt
4.1 Reagents: Hydrochloric acid , Titanium chloride (TiCl3) Solvents: Acetic acid , Water ; heated; 2 h, rt
4.2 Reagents: Sodium hydroxide Solvents: Water ; basified, rt

参考文献：

Synthesis and in Vitro and in Vivo Antitumor Activity of 2-Phenylpyrroloquinolin-4-ones

Ferlin, Maria Grazia; et al, Journal of Medicinal Chemistry, 2005, 48(9), 3417-3427

合成路线：4 步

39830-66-5

85696-95-3

反应条件：

1.1 Reagents: Sodium hydroxide , Water Solvents: Ethanol , Water
2.1 Reagents: Triethylamine Solvents: tert-Butanol
3.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran
4.1 Reagents: p-Toluenesulfonic acid monohydrate Solvents: Toluene

参考文献：

Approaches to the synthesis of teleocidins A and B

Porter, Roderick Alan, 1982, , ,

合成路线：4 步

40015-12-1

85696-95-3

反应条件：

1.1 Reagents: Nickel dichloride , Sodium borohydride Solvents: Ethanol
2.1 Solvents: Tetrahydrofuran
3.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran
4.1 Reagents: p-Toluenesulfonic acid monohydrate Solvents: Toluene

参考文献：

Approaches to the synthesis of teleocidins A and B

Porter, Roderick Alan, 1982, , ,

合成路线：4 步

78283-21-3

85696-95-3

反应条件：

1.1 Reagents: Acetic acid , Iron Solvents: Ethanol , Acetic acid
2.1 Solvents: Tetrahydrofuran
3.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran
4.1 Reagents: p-Toluenesulfonic acid monohydrate Solvents: Toluene

参考文献：

Approaches to the synthesis of teleocidins A and B

Porter, Roderick Alan, 1982, , ,

合成路线：5 步

23328-62-3

99-09-2

85696-95-3

反应条件：

1.1 Reagents: Triethylamine , tert-Butyl hypochlorite Solvents: Tetrahydrofuran
2.1 Reagents: Nickel dichloride , Sodium borohydride Solvents: Ethanol
3.1 Solvents: Tetrahydrofuran
4.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran
5.1 Reagents: p-Toluenesulfonic acid monohydrate Solvents: Toluene

参考文献：

Approaches to the synthesis of teleocidins A and B

Porter, Roderick Alan, 1982, , ,

合成路线：5 步

4637-24-5

606-20-2

85696-95-3

反应条件：

1.1 Solvents: Dimethylformamide
2.1 Reagents: Acetic acid , Iron Solvents: Ethanol , Acetic acid
3.1 Solvents: Tetrahydrofuran
4.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran
5.1 Reagents: p-Toluenesulfonic acid monohydrate Solvents: Toluene

参考文献：

Approaches to the synthesis of teleocidins A and B

Porter, Roderick Alan, 1982, , ,

合成路线：6 步

40015-15-4

85696-95-3

反应条件：

1.1 Reagents: Sulfuric acid Solvents: Dichloromethane , Water
2.1 Reagents: tert-Butyl hypochlorite Solvents: Tetrahydrofuran
2.2 Catalysts: 1,8-Diazabicyclo[5.4.0]undec-7-ene Solvents: Benzene
3.1 Reagents: Nickel dichloride , Sodium borohydride Solvents: Ethanol
4.1 Solvents: Tetrahydrofuran
5.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran
6.1 Reagents: p-Toluenesulfonic acid monohydrate Solvents: Toluene

参考文献：

Approaches to the synthesis of teleocidins A and B

Porter, Roderick Alan, 1982, , ,

合成路线：7 步

7252-83-7

624-92-0

85696-95-3

反应条件：

1.1 Reagents: Sodium Solvents: Ethanol , Tetrahydrofuran
2.1 Reagents: Sulfuric acid Solvents: Dichloromethane , Water
3.1 Reagents: Triethylamine , tert-Butyl hypochlorite Solvents: Tetrahydrofuran
4.1 Reagents: Nickel dichloride , Sodium borohydride Solvents: Ethanol
5.1 Solvents: Tetrahydrofuran
6.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran
7.1 Reagents: p-Toluenesulfonic acid monohydrate Solvents: Toluene

参考文献：

Approaches to the synthesis of teleocidins A and B

Porter, Roderick Alan, 1982, , ,