(4-Methoxyphenyl)(methylamino)acetic acid

Base Information

• Chemical Name: (4-Methoxyphenyl)(methylamino)acetic acid
• CAS No.: 91012-98-5
• Molecular Formula: C₁₀H₁₃NO₃
• Molecular Weight: 195.218
• Hs Code.: 2922509090
• ChEMBL ID: CHEMBL4092520
• DSSTox Substance ID: DTXSID40544150
• Nikkaji Number: J2.905.030I
• Mol file: 91012-98-5.mol

Synonyms:91012-98-5;(4-Methoxyphenyl)(methylamino)acetic acid;2-(4-methoxyphenyl)-2-(methylamino)acetic acid;(4-Methoxy-phenyl)-methylamino-acetic acid;CHEMBL4092520;SCHEMBL14019011;DTXSID40544150;CHEMBRDG-BB 4141581;MFCD08060076;SB39818;BS-35946;Benzeneacetic acid, 4-methoxy-a-(methylamino)-;(4-Methoxyphenyl)(methylamino)acetic acid, AldrichCPR

Chemical Property of (4-Methoxyphenyl)(methylamino)acetic acid

Chemical Property:

• Vapor Pressure: 9.3E-05mmHg at 25°C
• Boiling Point: 325.6°C at 760 mmHg
• Flash Point: 150.7°C
• PSA: 58.56000
• Density: 1.169g/cm³
• LogP: 1.43120
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 195.08954328
• Heavy Atom Count: 14
• Complexity: 188

Purity/Quality:

97% ^*data from raw suppliers

(4-Methoxyphenyl)(methylamino)acetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(C1=CC=C(C=C1)OC)C(=O)O

Technology Process of (4-Methoxyphenyl)(methylamino)acetic acid

There total 4 articles about (4-Methoxyphenyl)(methylamino)acetic 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: 66.0%

potassium cyanide + methylamine hydrochloride (593-51-1) + 4-methoxy-benzaldehyde (123-11-5) → (4-methoxyphenyl)(methylamino)acetic acid (91012-98-5)

Guidance literature:

potassium cyanide; methylamine hydrochloride; 4-methoxy-benzaldehyde; In methanol; water; for 2h;

With hydrogenchloride; water; for 8h; Reflux;

DOI:10.1590/S0103-50532010000500024

Reference yield:

4-Methoxyphenylacetic acid (104-01-8) → (4-methoxyphenyl)(methylamino)acetic acid (91012-98-5)

Guidance literature:

Multi-step reaction with 2 steps

1: N-bromosuccinimide (NBS), 2,2'-azobis(2-methylpropanenitrile) / CCl₄ / 15 h / 35 °C / Irradiation

2: H₂O / 18 h / 65 °C

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; water;

DOI:10.1021/jm00161a019

Reference yield:

α-bromo-4-methoxyphenylacetic acid (17478-44-3) + methylamine (74-89-5) → (4-methoxyphenyl)(methylamino)acetic acid (91012-98-5)

Guidance literature:

In water; at 65 ℃; for 18h;

DOI:10.1021/jm00161a019

upstream raw materials:

α-bromo-4-methoxyphenylacetic acid

methylamine

4-Methoxyphenylacetic acid

methylamine hydrochloride

Downstream raw materials:

N-(4-chlorobenzoyl)-C-(4-methoxyphenyl)-N-methylglycine

dimethyl 1-methyl-2-(4-methoxyphenyl)pyrrole-3,4-dicarboxylate

1-methyl-2-(4-methoxyphenyl)-3,4-bis(hydroxymethyl)pyrrole

1-methyl-2-(4-methoxyphenyl)-3,4-bis<<(N-2-propylcarbamoyl)oxy>methyl>pyrrole

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