2-amino-1-(1H-indol-3-yl)ethanone

Base Information

• Chemical Name: 2-amino-1-(1H-indol-3-yl)ethanone
• CAS No.: 87084-40-0
• Molecular Formula: C10H10N2O
• Molecular Weight: 174.202
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10452071
• Nikkaji Number: J1.101.675H
• Wikidata: Q82272440
• ChEMBL ID: CHEMBL1884245
• Mol file: 87084-40-0.mol

Synonyms:2-amino-1-(1H-indol-3-yl)ethanone;87084-40-0;2-AMINO-1-(1H-INDOL-3-YL)-ETHANONE;2-amino-1-(1H-indol-3-yl)ethan-1-one;3-amino-acetylindole;3-Glycyl-1H-indole;SCHEMBL7007977;CHEMBL1884245;DTXSID10452071;MFCD03425074;AKOS009209168;SB39223;NCGC00182744-01;AM807235;CS-0456744;FT-0767221;EN300-1717087;2-Amino-1-(1H-indol-3-yl)ethanone, AldrichCPR

Chemical Property of 2-amino-1-(1H-indol-3-yl)ethanone

Chemical Property:

• Vapor Pressure: 1.51E-06mmHg at 25°C
• Boiling Point: 398.1°C at 760 mmHg
• Flash Point: 194.6°C
• PSA: 58.88000
• Density: 1.27g/cm³
• LogP: 2.00960
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 174.079312947
• Heavy Atom Count: 13
• Complexity: 205

Purity/Quality:

97% ^*data from raw suppliers

2-Amino-1-(1H-indol-3-yl)ethanone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)C(=O)CN

Technology Process of 2-amino-1-(1H-indol-3-yl)ethanone

There total 11 articles about 2-amino-1-(1H-indol-3-yl)ethanone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

1H-indol-3-yl(oxo)acetonitrile (19194-62-8) → 2-amino-1-(1H-indol-3-yl)ethan-1-one (87084-40-0)

Guidance literature:

With palladium on activated charcoal; hydrogen; In acetic acid;

DOI:10.1016/j.tetlet.2009.05.030

Reference yield: 85.0%

2-azido-1-(1H-indol-3-yl)ethan-1-one (17380-40-4) → 2-amino-1-(1H-indol-3-yl)ethan-1-one (87084-40-0)

Guidance literature:

With hydrogenchloride; palladium on activated charcoal; hydrogen; In methanol; at 20 ℃; for 3h;

DOI:10.1016/j.bmc.2013.05.026

Reference yield: 76.0%

methyl 5-(3-indolyl)oxazole-4-carboxylate (1236196-94-3) → 2-amino-1-(1H-indol-3-yl)ethan-1-one (87084-40-0) + β-oxotryptophan methyl ester (746591-31-1)

Guidance literature:

methyl 5-(3-indolyl)oxazole-4-carboxylate; With hydrogenchloride; water; In methanol; at 60 ℃; for 72h; Inert atmosphere;

With ammonia; In methanol; dichloromethane;

DOI:10.1016/j.tet.2010.03.109

upstream raw materials:

3-chloroacetylindole

N-[2-oxo-2-(3-indolyl)ethyl]carbamic acid tert-butyl ester

1H-indol-3-yl(oxo)acetonitrile

tert-butyl [2-(1H-indol-3-yl)ethyl]carbamate

Downstream raw materials:

1-benzenesulfonyl-5-(1H-indol-3-yl)-1H,7H-pyrrolo[3,2-f]indole-4,8-dione

nortopsentine B

<2-(1H-indol-3-yl)-2-oxoethyl> ammonium chloride

8-oxo-N,N-dimethyltryptamine