CAS 4090-17-9

N-(2-Chloroacetyl)valine

Description:

N-(2-Chloroacetyl)valine is an organic compound characterized by its structure, which includes a valine amino acid backbone modified with a 2-chloroacetyl group. This modification introduces a chloroacetyl moiety, which enhances its reactivity and potential applications in various chemical reactions, particularly in peptide synthesis and medicinal chemistry. The presence of the chlorine atom contributes to its electrophilic nature, making it a useful intermediate in the synthesis of more complex molecules. N-(2-Chloroacetyl)valine is typically a white to off-white solid and is soluble in polar organic solvents. Its chemical properties are influenced by the amino and carboxyl functional groups inherent to amino acids, allowing it to participate in typical reactions such as acylation and amidation. This compound is of interest in the field of drug development and biochemistry, where it may serve as a building block for the synthesis of bioactive compounds. Safety precautions should be observed when handling this substance due to its reactive nature.

Formula: C₇H₁₂ClNO₃

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

InChI key: InChIKey=LJRISAYPKJORFZ-UHFFFAOYSA-N

SMILES: C(NC(CCl)=O)(C(C)C)C(O)=O

Synonyms:

• 2-(2-Chloroacetamido)-3-methylbutanoic acid
• 2-[(2-Chloroacetyl)amino]-3-methylbutanoic acid
• <span class="text-smallcaps">DL</span>-Valine, N-(chloroacetyl)-
• Chloroacetyl-DL-valine
• N-(2-Chloroacetyl)valine
• N-Chloroacetyl-<span class="text-smallcaps">DL</span>-valine
• NSC 401063
• Valine, N-(2-chloroacetyl)-
• Valine, N-(chloroacetyl)-
• Valine, N-(chloroacetyl)-, <span class="text-smallcaps">DL</span>-
• Valine, N-(chloroacetyl)-, DL-

N-Chloroacetyl-DL-valine

CAS: 4090-17-9

Formula: C₇H₁₂ClNO₃

Purity: >98.0%(T)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 193.63

Ref: 3B-C0106

CHLOROACETYL-DL-VALINE

CAS: 4090-17-9

Formula: C₇H₁₂ClNO₃

Purity: 98.0%

Molecular weight: 193.6281

Ref: IN-DA003OT6

N-Chloroacetyl-DL-valine

CAS: 4090-17-9

N-Chloroacetyl-DL-valine is a natural amino acid with the formula CH3C(O)NH2. It is one of the 22 proteinogenic amino acids. The N-chloroacetyl group in this compound is attached to nitrogen at the α-position, and its carboxylic acid moiety is attached to the β-position of the amino acid backbone. In crystallized form, it has a n-terminal pyrolysable amide bond that can be cleaved by heat. In solution, it hydrolyzes readily to DL-alanine and chloroacetic acid. Aminoacylase and dipeptidase enzymes catalyze this reaction in vivo. NCA is an L-amino acid that contains an α-carbon atom with two substituents: an amide group (NHCOCH3) and a chloroacetyl group (CH3C(O)Cl). The molecular weight

Formula: C₇H₁₂ClNO₃

Purity: Min. 95%

Molecular weight: 193.63 g/mol

Ref: 3D-EAA09017