16975-39-6

Basic information

• Product Name: 2-(BENZYLAMINO)-3-METHYLBUTANOIC ACID
• Synonyms: 2-(BENZYLAMINO)-3-METHYLBUTANOIC ACID;2-Benzylamino-3-methyl-butyric acid
• CAS NO: 16975-39-6
• Molecular Formula: C₁₂H₁₇NO₂
• Molecular Weight: 207.27
• Mol File: 16975-39-6.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 335.4±25.0 °C(Predicted)
• Appearance: /
• Density: 1.076±0.06 g/cm3(Predicted)
• PKA: 2.37±0.13(Predicted)
• CAS DataBase Reference: 2-(BENZYLAMINO)-3-METHYLBUTANOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(BENZYLAMINO)-3-METHYLBUTANOIC ACID(16975-39-6)
• EPA Substance Registry System: 2-(BENZYLAMINO)-3-METHYLBUTANOIC ACID(16975-39-6)

Safety Data

• Hazardous Substances Data: 16975-39-6(Hazardous Substances Data)

Usage

General Description

2-(benzylamino)-3-methylbutanoic acid, also known as N-benzylisoleucine, is a chemical compound with a molecular formula C13H19NO2. It is a derivative of the amino acid isoleucine, with an additional benzyl group attached to the amino group. 2-(benzylamino)-3-methylbutanoic acid is used in the field of pharmaceuticals and research as a potential inhibitor of the enzyme histone deacetylase, which plays a crucial role in the regulation of gene expression and cell growth. It is also being explored for its potential anti-cancer properties. Additionally, 2-(benzylamino)-3-methylbutanoic acid is used as a building block in the synthesis of various compounds for medicinal and chemical applications.

Upstream product

• 22483-21-2 isobutylidenebenzylamine 
• 124-38-9 carbon dioxide 
• 105623-17-4 N-(2-methylpropylidene)benzylamine-N-oxide 
• 100-52-7 benzaldehyde 
• 516-06-3 D,L-valine 

Downstream Products

• 1449563-40-9 diethyl [1-(dibenzylamino)-2-methylpropyl]phosphonate 
• 1314238-70-4 [1-[benzyl(4-cyanobenzyl)amino]-2-methylpropyl]phosphonic acid diethyl ester 
• 15363-84-5 (S)-2-(benzylamino)-3-methylbutanoic acid 
• 98575-68-9 (R)-N-benzylvaline 
• 105623-17-4 (Z)-N-(2-methylpropylidene)benzylamine N-oxide 
• 3103-29-5 N-Acetoacetyl-N-benzyl-valin 
• 28897-81-6 2-phenyl-4-iso-propyl-4H-oxazolin-5-one 

Relevant articles and documents

Discovery of Novel N-(4-Hydroxybenzyl)valine Hemoglobin Adducts in Human Blood

Humans are exposed to a wide range of electrophilic compounds present in our diet and environment or formed endogenously as part of normal physiological processes. These electrophiles can modify nucleophilic sites of proteins and DNA to form covalent addu

Synthesis of α-amino acids through samarium(II) iodide promoted reductive coupling of nitrones with CO2

Several N-benzylnitrones reacted with carbon dioxide in the presence of samarium(II) iodide leading to α-amino acids as the products of reductive C-C coupling. The best selectivities were observed at a carbon dioxide pressure of 50 bar at ambient temperature. The influences of different functional groups in the nitrone backbone and of the coordinating additives to samarium(II) iodide on the product distribution were investigated. The racemic α-amino acids were obtained in up to 70% yield based on HPLC data. A novel approach to the synthesis ofα-amino acids is disclosed, involvingC-carboxylation of nitrones by gaseous CO2 under reductive coupling reaction conditions (SmI2, 0.1 M in THF) at ambient temperature and 50 bar of CO 2 pressure. Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

A practical approach to the resolution of racemic N-benzyl α-amino acids by liquid-liquid extraction with a lipophilic chiral salen-cobalt(III) complex

(Chemical Equation Presented) Liquidating the assets: Coordination of one enantiomer from a racemic mixture of N-benzyl α-amino acids (N-Bn-AA) to the lipophilic chiral [CoIII(salen)(OAc)] complex results in its extraction into the organic phas