4-Methylaminobutyrate

Base Information

• Chemical Name: 4-Methylaminobutyrate
• CAS No.: 1119-48-8
• Molecular Formula: C5H11 N O2
• Molecular Weight: 117.148
• Hs Code.: 2922499990
• Mol file: 1119-48-8.mol

Synonyms:4-Methylaminobutyrate;4-methylaminobutyric acid;4-methylaminobutanoate;4-methylaminobutanoic acid;4-methylaminobutanoate zwitterion;CHEBI:66882;4-(methylamino)butyrate zwitterion;4-methylaminobutanoic acid zwitterion;4-(methylamino)butyric acid zwitterion;4-(N-methylamino)butyric acid zwitterion;gamma-(methylamino)butyric acid zwitterion

Chemical Property of 4-Methylaminobutyrate

Chemical Property:

• Vapor Pressure: 0.015mmHg at 25°C
• Melting Point: 150-152°C
• Boiling Point: 237.3°Cat760mmHg
• PKA: 4.42±0.10(Predicted)
• Flash Point: 97.3°C
• PSA: 49.33000
• Density: 1.023g/cm³
• LogP: 0.46150
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• XLogP3: -2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 117.078978594
• Heavy Atom Count: 8
• Complexity: 67.3

Purity/Quality:

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

N-Methyl-4-aminobutyric Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[NH2+]CCCC(=O)[O-]
• Uses: A GABA derivative and hydrolysis product of the industrial solvent, N-methyl-2-pyrrolidinone. Biologically it is a product of nicotine catabolism in bacteria and inhibits L-Carnitine from undergoing β -oxidation in mammals. It is commonly found in skin products to prevent wrinkles.

Technology Process of 4-Methylaminobutyrate

There total 6 articles about 4-Methylaminobutyrate 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:

1-Methylpyrrolidine (120-94-5) → pyrrolidine (123-75-1) + 1-methyl-pyrrolidin-2-one (872-50-4,26138-58-9) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + 4-(methylamino)butyric acid (1119-48-8)

Guidance literature:

With (batho)2Cu^II (batho = 2,9-dimethyl-4,7-diphenyl-1,10-phenanthrolinedisulfonate); water; at 25 ℃; for 24h; Rate constant; Product distribution; Mechanism; pH 8; var. reaction time and amine concentration; other aliphatic amines;

DOI:10.1021/ja00027a032

Reference yield:

Reactive blue 4 (13324-20-4) → 4-(methylamino)butyric acid (1119-48-8) + 2-hydroxy-1-nitropropane (3156-73-8) + Phthalic acid dibutyl ester (84-74-2) + 3-Hydroxybutyric acid (300-85-6,625-71-8,26063-00-3,29435-48-1) + para-methylbenzamide (619-55-6)

Guidance literature:

With sodium sulfate; In water; for 4h; Inert atmosphere; Electrochemical reaction;

DOI:10.1039/c4ra13550d

Reference yield:

6-(acetylamino)-4-hydroxy-3-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-2-naphthalenesulfonic acid disodium salt → 4-(methylamino)butyric acid (1119-48-8) + N-nitroso-1-phenylmethanamine (84375-85-9) + Phthalic acid dibutyl ester (84-74-2) + 3-Hydroxybutyric acid (300-85-6,625-71-8,26063-00-3,29435-48-1)

Guidance literature:

With sodium sulfate; In water; for 4h; Inert atmosphere; Electrochemical reaction;

DOI:10.1039/c4ra13550d

upstream raw materials:

1-Methylpyrrolidine

Reactive blue 4

Downstream raw materials:

4-(benzoyl-methyl-amino)-butyric acid

4-[(tert-butoxycarbonyl)(methyl)amino]butanoic acid

4-{Methyl-[4-(2-phenethyl-phenoxy)-butyl]-amino}-butyric acid

1-methyl-pyrrolidin-2-one

Refernces

• 1、 Wang, Fengjiang,Sayre, Lawrence M.. "Kinetics and mechanism of aliphatic amine oxidation by aqueous (batho)2CuII". . p. 248 - 255. Retrieved 2007/10/02.