4-Amino-2-methylbutanoic acid

Base Information

• Chemical Name: 4-Amino-2-methylbutanoic acid
• CAS No.: 42453-21-4
• Molecular Formula: C5H11 N O2
• Molecular Weight: 117.148
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID70962500
• Nikkaji Number: J906.673J
• Mol file: 42453-21-4.mol

Synonyms:4-amino-2-methylbutanoic acid;42453-21-4;4-amino-2-methylbutanoicacid;2-methyl-4-aminobutyric acid;SCHEMBL164117;DTXSID70962500;AKOS006339188;(D,L)-4-AMINO-2-METHYL-BUTANOICACID;EN300-107041

Chemical Property of 4-Amino-2-methylbutanoic acid

Chemical Property:

• PSA: 63.32000
• LogP: 0.23300
• Storage Temp.: 2-8°C
• XLogP3: -2.6
• 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

4-Amino-2-methylbutanoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCN)C(=O)O

Technology Process of 4-Amino-2-methylbutanoic acid

There total 15 articles about 4-Amino-2-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: 75.0%

4-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-ethyl-butyronitrile → 4-Amino-2-methylbutyric acid (42453-21-4)

Guidance literature:

With hydrogenchloride; Heating;

DOI:10.1016/S0040-4039(00)82095-X

Reference yield: 75.0%

2-(3'-cyanobutyl)-1H-isoindole-1,3(2H)-dione (120539-96-0) → 4-Amino-2-methylbutyric acid (42453-21-4)

Guidance literature:

With hydrogenchloride; for 14h; Heating;

Reference yield: 65.0%

ethyl 2-methyl-4-phthalimidobutanoate (732303-86-5) → 4-Amino-2-methylbutyric acid (42453-21-4)

Guidance literature:

With hydrogenchloride; acetic acid; at 140 ℃; for 18h;

DOI:10.1016/j.tetasy.2004.04.002

upstream raw materials:

3-methyl-2-pyrrolidinone

formic acid

crotylamine

3-butene-1-amine

Downstream raw materials:

4-amino-2-methyl-1-butanol

(R)-4-amino-2-methyl-1-butanol

3-methyl-2-pyrrolidinone

rac-2-methyl-4-phthalimidobutanoic acid

Refernces

• 1、 Jackson, W. Roy,Perlmutter, Patrick,Smallridge, Andrew J.. "The Stereochemistry of Organometallic Compounds. XXXII. Hydrocyanation of Derivatives of Amino Alkynes". . p. 1201 - 1208. Retrieved 2007/10/02.
• 2、 Nomoto, Shinya,Harada, Kaoru. "FLAME-INDUCED CARBOXYLATION OF UNSATURATED AMINES IN AN AQUEOUS FORMIC ACID SOLUTION". . p. 145 - 148. Retrieved 2007/10/02.