2-(3-Aminophenyl)acetamide

Base Information

• Chemical Name: 2-(3-Aminophenyl)acetamide
• CAS No.: 129743-47-1
• Molecular Formula: C8H10 N2 O
• Molecular Weight: 150.18
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID80276064
• Wikidata: Q82006385
• Mol file: 129743-47-1.mol

Synonyms:2-(3-aminophenyl)acetamide;129743-47-1;Benzeneacetamide, 3-amino-;Benzeneacetamide, 3-amino- (9CI);3-aminophenyl acetamide;(3-aminophenyl)acetamide;SCHEMBL1038231;DTXSID80276064;LBWKDTFSPUMSAT-UHFFFAOYSA-N;BBL032017;MFCD11695108;STK946199;AKOS000299283;DS-4692;2-(3-aminophenyl)acetamide, AldrichCPR;CS-0207714;FT-0736868;C72191;EN300-701435

Chemical Property of 2-(3-Aminophenyl)acetamide

Chemical Property:

• Boiling Point: 405.4±28.0 °C(Predicted)
• PKA: 16.23±0.40(Predicted)
• PSA: 69.11000
• Density: 1.198±0.06 g/cm3(Predicted)
• LogP: 1.57810
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.079312947
• Heavy Atom Count: 11
• Complexity: 147

Purity/Quality:

97% ^*data from raw suppliers

2-(3-aminophenyl)acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)N)CC(=O)N

Technology Process of 2-(3-Aminophenyl)acetamide

There total 5 articles about 2-(3-Aminophenyl)acetamide 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: 28.0%

2-(3-nitrophenyl)acetic acid amide (5247-25-6) → 2-(3-aminophenyl)acetic acid amide (129743-47-1)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; under 1965.21 Torr;

DOI:10.1016/j.bmc.2007.10.078

Reference yield:

3-nitro-benzeneacetic acid (1877-73-2) → 2-(3-aminophenyl)acetic acid amide (129743-47-1)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride / chloroform / 14 h / Heating / reflux

2: hydrogen / palladium 10% on activated carbon / ethanol / 1965.21 Torr

With thionyl chloride; hydrogen; palladium 10% on activated carbon; In ethanol; chloroform;

Reference yield:

(3-amino-phenyl)-acetic acid methyl ester (52913-11-8) → 2-(3-aminophenyl)acetic acid amide (129743-47-1)

Guidance literature:

With ammonia;

upstream raw materials:

(3-amino-phenyl)-acetic acid methyl ester

3-amino phenylacetic acid

2-(3-nitrophenyl)acetic acid amide

3-nitro-benzeneacetic acid

Downstream raw materials:

2-{3-[3-(2-chloro-ethyl)-ureido]-phenyl}-acetamide

(3-ureido-phenyl)-acetic acid amide