CAS 23964-56-9

Methyl 3-[(2-chloro-1-oxopropyl)amino]-4-methyl-2-thiophenecarboxylate

Description:

Methyl 3-[(2-chloro-1-oxopropyl)amino]-4-methyl-2-thiophenecarboxylate, with the CAS number 23964-56-9, is a chemical compound characterized by its complex structure, which includes a thiophene ring, a carboxylate group, and an amino group with a chloro-substituted propyl chain. This compound typically exhibits properties associated with both thiophene derivatives and amides, such as moderate solubility in organic solvents and potential reactivity due to the presence of the electrophilic chloro group. The thiophene moiety contributes to its aromatic characteristics, which may influence its electronic properties and reactivity. Additionally, the presence of the carboxylate group suggests potential for hydrogen bonding and interactions with other polar molecules. Methyl esters like this compound are often used in organic synthesis and may serve as intermediates in the production of pharmaceuticals or agrochemicals. Its specific applications and behavior in chemical reactions would depend on the functional groups present and the overall molecular structure.

Formula: C₁₀H₁₂ClNO₃S

InChI: InChI=1S/C10H12ClNO3S/c1-5-4-16-8(10(14)15-3)7(5)12-9(13)6(2)11/h4,6H,1-3H3,(H,12,13)

InChI key: InChIKey=SPKRZDZVDTWKDM-UHFFFAOYSA-N

SMILES: N(C(C(C)Cl)=O)C1=C(C(OC)=O)SC=C1C

Synonyms:

• Methyl 3-[(2-chloro-1-oxopropyl)amino]-4-methyl-2-thiophenecarboxylate
• 2-Thiophenecarboxylic acid, 3-(2-chloropropionamido)-4-methyl-, methyl ester
• 3-(2-Chloropropionyl)amino-4-methyl-2-methoxycarbonylthiophene
• Methyl 3-(2-chloropropanoylamino)-4-methyl-2-thiophenecarboxylate
• 2-Thiophenecarboxylic acid, 3-[(2-chloro-1-oxopropyl)amino]-4-methyl-, methyl ester

3-(2-Chloropropionyl)amino-4-methyl-2-methoxycarbonylthiophene

Controlled Product

CAS: 23964-56-9

Applications 3-(2-Chloropropionyl)amino-4-methyl-2-methoxycarbonylthiophene is an intermediate in the synthesis of Articaine-d7 Hydrochloride which is the labelled form of Articaine Hydrochloride (A777905). Articaine Hydrochloride is the Hydrochloride Salt of Articaine (A777900). Articaine is an amide based short-acting local anesthetic use for regional anaesthesia in day-case settings such arthroscopy, hand, food surgery and in dentistry.
References Malamed, S.F., et al.: J. Am. Dent. Assoc., 132, 177 (2001); Luan, F., et al.: Bioorg. Med. Chem., 21, 1870 (2013)

Formula: C₁₀H₁₂ClNO₃S

Color and Shape: Neat

Molecular weight: 261.73

Ref: TR-C380873

Methyl 3-(2-chloropropanamido)-4-methylthiophene-2-carboxylate

CAS: 23964-56-9

Versatile small molecule scaffold

Formula: C₁₀H₁₂ClNO₃S

Purity: Min. 95%

Molecular weight: 261.73 g/mol

Ref: 3D-YAA96456