CAS 113479-65-5

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-(chloromethyl)-8-oxo-, (4-methoxyphenyl)methyl ester, hydrochloride (1:1), (6R,7R)-

Description:

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-(chloromethyl)-8-oxo-, (4-methoxyphenyl)methyl ester, hydrochloride (1:1), (6R,7R)-, is a complex organic compound characterized by its bicyclic structure, which incorporates both sulfur and nitrogen atoms. This compound features a carboxylic acid functional group, contributing to its acidic properties, and an ester linkage, which enhances its solubility and reactivity. The presence of a chloromethyl group suggests potential for further chemical modifications, while the oxo group indicates the presence of a carbonyl functionality, which can participate in various chemical reactions. The (4-methoxyphenyl)methyl ester moiety adds hydrophobic characteristics, potentially influencing its biological activity and pharmacokinetics. The hydrochloride salt form indicates enhanced stability and solubility in aqueous environments, making it suitable for pharmaceutical applications. The specific stereochemistry denoted by (6R,7R)- suggests that the compound may exhibit chiral properties, which can be crucial for its biological interactions and efficacy. Overall, this compound's unique structural features position it as a candidate for further investigation in medicinal chemistry.

Formula: C₁₆H₁₇ClN₂O₄S·ClH

InChI: InChI=1S/C16H17ClN2O4S.ClH/c1-22-11-4-2-9(3-5-11)7-23-16(21)13-10(6-17)8-24-15-12(18)14(20)19(13)15;/h2-5,12,15H,6-8,18H2,1H3;1H/t12-,15-;/m1./s1

InChI key: InChIKey=LYIIGHOYDRRHAJ-XRZFDKQNSA-N

SMILES: C(OCC1=CC=C(OC)C=C1)(=O)C=2N3[C@@]([C@H](N)C3=O)(SCC2CCl)[H].Cl

Synonyms:

• 4-Methoxybenzyl 7β-amino-3-(chloromethyl)-3-cephem-4-carboxylate hydrochloride
• 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-(chloromethyl)-8-oxo-, (4-methoxyphenyl)methyl ester, hydrochloride (1:1), (6R,7R)-
• 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-(chloromethyl)-8-oxo-, (4-methoxyphenyl)methyl ester, monohydrochloride, (6R,7R)-
• 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-(chloromethyl)-8-oxo-, (4-methoxyphenyl)methyl ester, monohydrochloride, (6R-trans)-
• 7-Amino-3-chloromethyl-3-cephem-4-carboxylic acid p-methoxybenzyl ester, hydrochloride
• Acle Hcl
• p-Methoxybenzyl 7β-amino-3-(chloromethyl)-3-cephem-4-carboxylate hydrochloride

7-Amino-3-chloromethyl-3-cephem-4-carboxylic acid p-methoxybenzyl ester, HCl

CAS: 113479-65-5

Formula: C₁₆H₁₈Cl₂N₂O₄S

Purity: 94%

Color and Shape: Solid

Molecular weight: 405.2961

Ref: IN-DA00387A

(6R,7R)-4-Methoxybenzyl 7-Amino-3-(Chloromethyl)-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate Hydrochloride

CAS: 113479-65-5

(6R,7R)-4-Methoxybenzyl 7-Amino-3-(Chloromethyl)-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate Hydrochloride

Purity: 95%

Molecular weight: 405.30g/mol

Ref: 54-OR1008295

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-(chloromethyl)-8-oxo-, (4-methoxyphenyl)methyl ester, monohydrochloride, (6R,7R)- (9CI)

CAS: 113479-65-5

Purity: 95%

Molecular weight: 405.290008544922

Ref: 10-F791571

7-Amino-3 chloromethyl-3-cephem-4-carboxylic Acid p-Methoxybenzyl Ester Hydrochloride

Controlled Product

CAS: 113479-65-5

Stability Hygroscopic
Applications Cefazolin intermediate as antibacterials.
References Brown, R., et al.: J. Med. Chem., 33, 2114 (1990), Minnick, A., et al.: J. Antimicrob. Agents Chemother., 36, 840 (1992), Tsuji, K., et al.: Bioorg. Med. Chem., 4, 2135 (1996), Kinzel, O., et al.: J. Antibiot., 51, 499 (1998),

Formula: C₁₆H₁₇ClN₂O₄S·ClH

Color and Shape: Neat

Molecular weight: 405.30

Ref: TR-A603445

7-Amino-3 chloromethyl-3-cephem-4-carboxylic Acid p-Methoxybenzyl Ester Hydrochloride

CAS: 113479-65-5

Formula: C₁₆H₁₇ClN₂O₄SHCl

Molecular weight: 368.83 : 36.46

Ref: ST-EA-CP-C149028