(3R)-4-amino-3-methylbutanoic acid

Base Information

• Chemical Name: (3R)-4-amino-3-methylbutanoic acid
• CAS No.: 1116-92-3
• Molecular Formula: C₅H₁₁NO₂
• Molecular Weight: 117.148
• DSSTox Substance ID: DTXSID10424995
• Nikkaji Number: J2.101.505I
• ChEMBL ID: CHEMBL305883
• Mol file: 1116-92-3.mol

Synonyms:(3R)-4-amino-3-methylbutanoic acid;1116-92-3;Butanoic acid, 4-amino-3-methyl-, (R)-;CHEMBL305883;SCHEMBL23113877;DTXSID10424995;(3r)-4-amino-3-methylbutyric acid;(3R)-3-Methyl-4-aminobutanoic acid;PD132050;EN300-333508

Chemical Property of (3R)-4-amino-3-methylbutanoic acid

Chemical Property:

• XLogP3: -2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 117.078978594
• Heavy Atom Count: 8
• Complexity: 82.5

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(=O)O)CN
• Isomeric SMILES: C[C@H](CC(=O)O)CN

Technology Process of (3R)-4-amino-3-methylbutanoic acid

There total 5 articles about (3R)-4-amino-3-methylbutanoic 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: 84.0%

(R)-3-methylglutaramide (128062-15-7) → (R)-3-methyl-4-aminobutyric acid (1116-92-3,71424-95-8)

Guidance literature:

With bis-(trifluoroacetoxy)-iodo-benzene; In water; acetonitrile; for 20h; Ambient temperature;

Reference yield: 83.0%

(R)-(+)-4-methylpyrrolidin-2-one (260061-31-2) → (R)-3-methyl-4-aminobutyric acid (1116-92-3,71424-95-8)

Guidance literature:

With potassium hydroxide; In methanol; water; for 5h; Heating;

DOI:10.1016/j.tet.2004.09.053

Reference yield: 57.0%

ethyl (4R)-4-methyl-2-oxopyrrolidine-3-carboxylate (1443453-35-7) → (R)-3-methyl-4-aminobutyric acid (1116-92-3,71424-95-8)

Guidance literature:

ethyl (4R)-4-methyl-2-oxopyrrolidine-3-carboxylate; With hydrogenchloride; In water; for 18h; Reflux;

With sodium hydroxide; In methanol; pH=7;

DOI:10.1134/S1070428013050047

upstream raw materials:

(R)-3-methylglutaramide

(R)-(+)-4-methylpyrrolidin-2-one

(1'S,4R)-4-methyl-1-(1-phenyleth-1'-yl)pyrrolidin-2-one

diethyl 2-[(2R)-1-nitropropan-2-yl]propanedioate