3-Aminophenylacetic acid

Base Information

• Chemical Name: 3-Aminophenylacetic acid
• CAS No.: 14338-36-4
• Molecular Formula: C8H9NO2
• Molecular Weight: 151.165
• Hs Code.: 29224999
• European Community (EC) Number: 604-350-0
• DSSTox Substance ID: DTXSID80931848
• Nikkaji Number: J81.752J
• Wikidata: Q72440412
• ChEMBL ID: CHEMBL1188282
• Mol file: 14338-36-4.mol

Synonyms:3-Aminophenylacetic acid;14338-36-4;2-(3-aminophenyl)acetic acid;(3-aminophenyl)acetic acid;Benzeneacetic acid, 3-amino-;3-Aminobenzeneacetic acid;MFCD00075058;CHEMBL535865;3-AminophenylaceticAcid;3-amino phenylacetic acid;3-amino-phenylacetic acid;3-amino phenyl acetic acid;(3-aminophenyl) acetic acid;SCHEMBL166538;(3-Amino-phenyl)-acetic acid;3-Aminophenylacetic acid, 97%;CHEMBL1188282;DTXSID80931848;STR02666;BDBM50376754;CL8768;AKOS000299628;CS-W008015;PS-5261;BP-12343;AM20060508;FT-0604692;EN300-69343;A26738;AE-562/43460501;J-511714;Z992267406;(m-Aminophenyl)acetic Acid;2-(3-Aminophenyl)acetic Aci;3-Amino-benzeneacetic Acid

Chemical Property of 3-Aminophenylacetic acid

Chemical Property:

• Appearance/Colour: light beige solid
• Vapor Pressure: 1.72E-05mmHg at 25°C
• Melting Point: 147-150 °C(lit.)
• Refractive Index: 1.615
• Boiling Point: 349.8 °C at 760 mmHg
• PKA: 4.08±0.10(Predicted)
• Flash Point: 165.3 °C
• PSA: 63.32000
• Density: 1.268 g/cm³
• LogP: 1.47710
• Storage Temp.: glass bottle, -20°C Freezer
• Solubility.: DMSO, Methanol, Water
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 151.063328530
• Heavy Atom Count: 11
• Complexity: 147

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Aminophenylacetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)N)CC(=O)O
• Uses: 3-Aminophenylacetic acid is a useful synthetic intermediate.

Technology Process of 3-Aminophenylacetic acid

There total 12 articles about 3-Aminophenylacetic acid 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: 74.0%

3-nitro-benzeneacetic acid (1877-73-2) → 3-amino phenylacetic acid (14338-36-4)

Guidance literature:

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

DOI:10.1016/j.bmc.2007.10.078

Reference yield:

2-{3-[5,7-dibromo-1-(4-methoxybenzyl)-2-oxoindolin-3-ylideneamino]phenyl}acetic acid → 5,7-dibromo-1-(4-methoxybenzyl)indoline-2,3-dione (620932-73-2) + 3-amino phenylacetic acid (14338-36-4)

Guidance literature:

With water; In acetonitrile; at 37 ℃; for 4h; pH=4.5; Temperature; pH-value; Kinetics; aq. acetate buffer;

DOI:10.1016/j.bmc.2011.01.015

Reference yield:

(E)-5,7-dibromo-3-(3-carboxymethylphenyl)imino-N-(p-trifluoromethyl-benzyl)isatin → 5,7-dibromo-N-(p-trifluoromethylbenzyl)isatin + 3-amino phenylacetic acid (14338-36-4)

Guidance literature:

With water; sodium acetate; acetic acid; In acetonitrile; at 18 ℃; for 4h; pH=5.17; Reactivity;

upstream raw materials:

3-nitro-benzeneacetic acid

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

hydrogenchloride

(3-nitrophenyl)acetonitrile

Downstream raw materials:

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

3-azidophenylacetic acid

3-nitro-benzeneacetic acid

2-(3-amino-phenyl)-N-(5,6-dimethoxy-indan-2-yl)-N-propyl-acetamide

Refernces

• 1、 Moreau, Emmanuel,Fortin, Sebastien,Lacroix, Jacques,Patenaude, Alexandre,Rousseau, Jean L.C.,C-Gaudreault, Rene. "N-Phenyl-N′-(2-chloroethyl)ureas (CEUs) as potential antineoplastic agents. Part 3: Role of carbonyl groups in the covalent binding to the colchicine-binding site". . p. 1206 - 1217. Retrieved 2008/09/18.
• 2、 -. "Polyiodinated triglyceride analogs as radiologic agents". . . Retrieved 2008/06/13.