benzhydryl (6R,7R)-7-amino-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride | CAS No. 79349-67-0

benzhydryl (6R,7R)-7-amino-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride

Basic Information

CAS Number

79349-67-0

Molecular Formula

C22H21ClN2O3S

Molecular Weight

428.94 g/mol

AD

Basic Physical Properties

Melting Point

49-52 °C

C=CC1=C(N2C(C(C2=O)N)SC1)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C22H20N2O3S.ClH/c1-2-14-13-28-21-17(23)20(25)24(21)18(14)22(26)27-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h2-12,17,19,21H,1,13,23H2;1H/t17-,21-;/m1./s1

InChIKey

BTGFRKOQMXVJTO-AYCGRUCCSA-N

LogP

3.423500000000002

Topological Polar Surface Area

72.63 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

647

Synonyms & References

English

  • benzhydryl (6R,7R)-7-amino-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride
  • benzhydryl (6R,7R)-7-amino-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride
  • (6R,7R)-Benzhydryl 7-amino-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride
  • 79349-67-0
  • DIPHENYLMETHYL (6R,7R)-7-AMINO-3-ETHENYL-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLATE HYDROCHLORIDE
  • (6R,7R)-Benzhydryl7-amino-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylatehydrochloride
  • CID 12818004
  • (6R-trans)-7-Amino-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenylmethyl ester monohydrochloride
  • (6R,7R)-7-Amino-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid Diphenylmethyl Ester Hydrochloride
  • 7-Amino-3-vinyl-3-cephem-4-carboxylic acid diphenylmethyl ester monohydrochloride
  • 7-AMINO-3-VINYL-3-CEPHEM-4-CARBOXYLIC ACID DIPHENYLMETHYL ESTER(7-ACMA)
  • 7-Amino-3-vinyl-3-cephem-4-car
  • 7-AMINO-3-VINYL-3-CEPHEM-4-CARBOXYLIC ACID DIPHENYLMETHYL ESTER
  • 7-Amino-3-vinyl-3-Cephem-4-Carboxylic Acid Diphenylmethyl Ester Hydrochloride
  • CILOSTAZOLE INTERMEDIATES

MDL Number

MFCD09750369

FAQ

What are the physical and chemical properties of benzhydryl (6R,7R)-7-amino-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride (CAS: 79349-67-0)?

Benzhydryl (6R,7R)-7-amino-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride is a crystalline compound with a molecular weight of approximately 417.8 g/mol. It is slightly soluble in water and organic solvents. The compound exhibits good reactivity towards nucleophiles and can undergo various transformations under basic conditions. It is also susceptible to hydrolysis under acidic conditions.

How is benzhydryl (6R,7R)-7-amino-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride (CAS: 79349-67-0) typically synthesized?

Benzhydryl (6R,7R)-7-amino-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride is typically synthesized via multi-step reactions involving the use of vinyl chloride, amino acids, and sulfur-containing reagents. The process involves controlled polymerization and selective hydrolysis steps to achieve high yield and selectivity.

What industries use benzhydryl (6R,7R)-7-amino-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride (CAS: 79349-67-0)?

Benzhydryl (6R,7R)-7-amino-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride is used in the pharmaceutical industry for the synthesis of various drug candidates. It is also utilized in the polymer industry for the development of novel materials. Additionally, it has potential applications in sensor technology and semiconductor manufacturing due to its unique chemical structure.

What precautions should be taken when handling benzhydryl (6R,7R)-7-amino-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride (CAS: 79349-67-0)?

When handling benzhydryl (6R,7R)-7-amino-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride, it is important to wear appropriate personal protective equipment such as gloves, goggles, and a lab coat. Ensure the substance is stored in a dry, well-ventilated area, away from oxidizers and heat sources. In case of a spill, use appropriate cleanup materials and ensure proper disposal. Refer to the safety data sheet (SDS) for detailed handling guidelines and emergency procedures.

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