204191-43-5

Basic information

• Product Name: DL-3-T-BUTYL-BETA-ALANINE
• Synonyms: Pentanoic acid, 3-amino-4,4-dimethyl-;2-(Aminomethyl)-3,3-dimethylbutanoic acid;(R,S)-3-t-Butyl--alanine
• CAS NO: 204191-43-5
• Molecular Formula: C₇H₁₅NO₂
• Molecular Weight: 145.20
• Mol File: 204191-43-5.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 241.6 °C at 760 mmHg
• Flash Point: 99.9 °C
• Appearance: /
• Density: 1.017 g/cm³
• Vapor Pressure: 0.0118mmHg at 25°C
• Refractive Index: 1.465
• PKA: 3.81±0.10(Predicted)
• CAS DataBase Reference: DL-3-T-BUTYL-BETA-ALANINE(CAS DataBase Reference)
• NIST Chemistry Reference: DL-3-T-BUTYL-BETA-ALANINE(204191-43-5)
• EPA Substance Registry System: DL-3-T-BUTYL-BETA-ALANINE(204191-43-5)

Safety Data

• Hazardous Substances Data: 204191-43-5(Hazardous Substances Data)

Usage

General Description

DL-3-T-butyl-beta-alanine, also known as 3-tert-butyl-beta-alanine, is a chemical compound with a molecular formula C6H13NO2. It is a derivative of the amino acid beta-alanine, containing a tert-butyl group attached to the third carbon atom. DL-3-T-BUTYL-BETA-ALANINE is commonly used as a building block in the synthesis of pharmaceuticals and organic compounds. It has also been studied for its potential use in medicinal applications, such as in the treatment of neurological disorders and as a potential anti-inflammatory agent. Additionally, DL-3-T-butyl-beta-alanine has been investigated for its role in improving exercise performance and muscle recovery.

InChI:InChI=1/C7H15NO2/c1-7(2,3)5(8)4-6(9)10/h5H,4,8H2,1-3H3,(H,9,10)

Upstream product

• 185244-02-4 N-[2,2-Dimethyl-1-(toluene-4-sulfonyl)-propyl]-formamide 
• 141-82-2 malonic acid 
• 630-19-3 pivalaldehyde 

Downstream Products

• 367278-48-6 (S)‐3‐amino‐4,4‐dimethylpentanoic acid 
• 367278-49-7 (3R)-3-amino-4,4-dimethylpentanoic acid 
• 856417-59-9 3-((tert-butoxycarbonyl)amino)-4,4-dimethylpentanoic acid 
• 874656-86-7 4-tert-butyl-2-phenyl-4,5-dihydro-[1,3]oxazin-6-one 
• 874656-81-2 3-benzamido-3-(tert-butyl)propanoic acid 

Relevant articles and documents

Spectroscopic Characterization of a Reactive [Cu2(μ-OH)2]2+ Intermediate in Cu/TEMPO Catalyzed Aerobic Alcohol Oxidation Reaction

CuI/TEMPO (TEMPO=2,2,6,6-tetramethylpiperidinyloxyl) catalyst systems are versatile catalysts for aerobic alcohol oxidation reactions to selectively yield aldehydes. However, several aspects of the mechanism are yet unresolved, mainly because o

Development of a commercial process for (S)-β-phenylalanine (1)

The development of a commercial manufacturing route for (S)-β-phenylalanine 8, a key pharmaceutical building block, is described. The different approaches which were investigated, based on catalytic asymmetric hydrogenation of enamide intermediates and on biocatalysis using acylase and lipase hydrolyses, are compared. The lipase resolution route was chosen for scale-up, and the final two-step process, based on readily available raw materials, is shown to be robust at full manufacturing scale

Kinetic resolution of oxazinones: An organocatalytic approach to enantiomerically pure β-amino acids

(Chemical Equation Presented) A profitable split: An organocatalytic resolution converts readily available racemic oxazinones 1 into valuable enantiomerically pure β-amino acid derivatives 2 (> 99% ee of the remaining 1 at 53% conversion; 88% ee of the ester 2). This catalytic ring-opening reaction requires as little as 1 mol% of the modular and readily accessible thiourea organocatalyst 3.