2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid

Base Information

• Chemical Name: 2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid
• CAS No.: 10128-06-0
• Molecular Formula: C12H17NO4
• Molecular Weight: 239.271
• Hs Code.: 2922509090
• DSSTox Substance ID: DTXSID10397039
• Nikkaji Number: J1.420.993J
• Mol file: 10128-06-0.mol

Synonyms:10128-06-0;2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid;DL-3-(3,4-Dimethoxyphenyl)-2-methylalanine;(2s)-2-amino-3-(3,4-dimethoxyphenyl)-2-methyl-propanoic acid;TimTec1_002089;SCHEMBL6339567;DTXSID10397039;HMS1539O21;AKOS013804074;AB00514708;FT-0656481;2-Amino-2-(3,4-dimethoxybenzyl)propionic acid;A800366;J-000357;2-azanyl-3-(3,4-dimethoxyphenyl)-2-methyl-propanoic acid

Chemical Property of 2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid

Chemical Property:

• Melting Point: 274-275 °C (decomp)
• Boiling Point: 379.6 °C at 760 mmHg
• PKA: 2.27±0.26(Predicted)
• Flash Point: 183.4 °C
• PSA: 81.78000
• Density: 1.186 g/cm³
• LogP: 1.74860
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 239.11575802
• Heavy Atom Count: 17
• Complexity: 271

Purity/Quality:

99% ^*data from raw suppliers

DL-2-AMINO-3-(3,4-DIMETHOXY-PHENYL)-2-METHYL-PROPIONIC ACID 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1=CC(=C(C=C1)OC)OC)(C(=O)O)N

Technology Process of 2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid

There total 4 articles about 2-Amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic 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:

4-bromomethyl-1,2-dimethoxybenzene (21852-32-4) → 2-amino-3-(3,4-dimethoxy-phenyl)-2-methyl-propionic acid (10128-06-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / K₂CO₃, KOH / benzyl triethylammonium chloride / acetonitrile / 14 h / Ambient temperature

2: 1.) hydrochloric acid (1N); 2.) hydrochloric acid (6N) / 1.) ether, 12 h, room temp.; 2.) reflux, 4 h

With hydrogenchloride; potassium hydroxide; potassium carbonate; N-benzyl-N,N,N-triethylammonium chloride; In acetonitrile;

DOI:10.1016/S0040-4020(01)86041-5

Reference yield:

→ 2-amino-3-(3,4-dimethoxy-phenyl)-2-methyl-propionic acid (10128-06-0)

Guidance literature:

With barium dihydroxide;

DOI:10.1021/ja01608a046

Reference yield:

3-(3,4-Dimethoxy-phenyl)-2-methyl-2-{[1-phenyl-meth-(E)-ylidene]-amino}-propionic acid methyl ester (59715-94-5) → 2-amino-3-(3,4-dimethoxy-phenyl)-2-methyl-propionic acid (10128-06-0)

Guidance literature:

With hydrogenchloride; Yield given. Multistep reaction; 1.) ether, 12 h, room temp.; 2.) reflux, 4 h;

DOI:10.1016/S0040-4020(01)86041-5

upstream raw materials:

3-(3,4-Dimethoxy-phenyl)-2-methyl-2-{[1-phenyl-meth-(E)-ylidene]-amino}-propionic acid methyl ester

4-bromomethyl-1,2-dimethoxybenzene

Refernces