4090-17-9

Basic information

• Product Name: CHLOROACETYL-DL-VALINE
• Synonyms: n-chloroacetyl-dl-valinecrystalline;N-CHLOROACETYL-DL-VAL;N-CHLOROACETYL-DL-VALINE;CLAC-DL-VAL-OH;CHLOROAC-DL-VAL-OH;CHLOROACETYL-DL-VALINE;N-(2-Chloroacetyl)-DL-valine;(±)-Chloroacetylvaline
• CAS NO: 4090-17-9
• Molecular Formula: C₇H₁₂ClNO₃
• Molecular Weight: 193.63
• EINECS: 223-827-0
• Product Categories: A - H;Amino Acids;Modified Amino Acids
• Mol File: 4090-17-9.mol
• Article Data: 1

Chemical Properties

• Melting Point: 130 °C
• Appearance: /
• Storage Temp.: −20°C
• Solubility: almost transparency in Methanol
• CAS DataBase Reference: CHLOROACETYL-DL-VALINE(CAS DataBase Reference)
• NIST Chemistry Reference: CHLOROACETYL-DL-VALINE(4090-17-9)
• EPA Substance Registry System: CHLOROACETYL-DL-VALINE(4090-17-9)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• Hazardous Substances Data: 4090-17-9(Hazardous Substances Data)

Usage

General Description

Chloroacetyl-DL-Valine is a chemical compound with the molecular formula C7H12ClNO3. It’s a derivative of the amino acid valine, with a chloroacetyl group attached to it. CHLOROACETYL-DL-VALINE is utilized in organic chemistry as an intermediate for the synthesis of other complex chemicals and pharmaceuticals. Due to its reactive chloroacetyl group, Chloroacetyl-DL-Valine can easily form bonds with other molecules, making it a useful reagent in chemical reactions. Its properties, applications and safety measures must be dealt with care as relevant data about its potential risks to human health or environment is not readily available.

InChI:InChI=1/C7H12ClNO3/c1-4(2)6(7(11)12)9-5(10)3-8/h4,6H,3H2,1-2H3,(H,9,10)(H,11,12)

Upstream product

• 516-06-3 D,L-valine 
• 79-04-9 chloroacetyl chloride 
• 640-68-6 D-Val-OH 

Downstream Products

• 2325-17-9 Glycylvaline 
• 1963-21-9 L-glycyl-L-valine 
• 759-05-7 3-methyl-2-ketobutanoic acid 
• 7664-41-7 ammonia 
• 64-19-7 acetic acid 
• 109924-85-8 racemic Ac-ΔVal-Phe-OMe 
• 17623-72-2 2-methyl-4-iso-propyl-4H-oxazolin-5-one 
• 4894-12-6 4-isopropylidene-2-methyloxazol-5(4H)-one 
• 4997-97-1 pseudooxazolone 
• 87177-39-7 2-[2-(Diethoxy-thiophosphorylsulfanyl)-acetylamino]-3-methyl-butyric acid 

Relevant articles and documents

Kinetic Resolution of Unnatural and Rarely Occuring Amino Acids: Enantioselective Hydrolysis of N-Acyl Amino Acids Catalyzed by Acylase I

Acylase I (aminoacylase; N-acylamino-acid amidohydrolase, EC 3.5.1.14, from porcine kidney and the fungus Aspergillus) is broadly applicable enzymatic catalyst for the kinetic resolution of unnatural and rarely occuring α-amino acids.Its enantioselectivity for the hydrolysis of N-acyl L-α-amino acids is nearly absolute, yet it accepts substrates having a wide range of structure and functionality.This paper reports the initial rates of enzyme-catalyzed hydrolysis of over 50 N-acyl amino acids and analogues, the stabilities of the enzymes in aqueous and aqueous/organic solutions, and the effects of different acyl groups and metal ions on the rates of enzymatic hydrolysis.Eleven α-amino and α-methyl α-amino acids were resolved on a 2-29-g scale.Crude L- and D-amino acid products had generally >90percent ee.The utility of resolved amino acids as chiral synthons was illustrated by the preparation of (R)- and (S)-1-butene oxide and the diastereoselective (cis:trans, 7-8:1) iodolactonization of three 2-amino-4-alkenoic acid derivatives.