Diphenylmethyl (6R,7R)-3-(chloromethyl)-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Basic Information

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CAS Number

64308-63-0

Molecular Formula

C29H25ClN2O4S

Molecular Weight

533.05 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

122-128°C

SMILES

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C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)CCl

InChI

InChI=1S/C29H25ClN2O4S/c30-17-22-18-37-28-24(31-23(33)16-19-10-4-1-5-11-19)27(34)32(28)25(22)29(35)36-26(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,24,26,28H,16-18H2,(H,31,33)/t24-,28-/m1/s1

InChIKey

BCMPVBNNIHFSLU-UFHPHHKVSA-N

LogP

4.454700000000003

Topological Polar Surface Area

75.71000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

859

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

benzhydryl (6R,7R)-3-(chloromethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SCHEMBL9699333
DIPHENYLMETHYL (6R,7R)-3-(CHLOROMETHYL)-8-OXO-7-(2-PHENYLACETAMIDO)-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLATE
(6R,7R)-Benzhydryl 3-(chloromethyl)-8-oxo-7-(2-phenylacetamido)-5-thia-1-aza bicyclo[4.2.0]oct-2-ene-2-carboxylate
BCMPVBNNIHFSLU-UFHPHHKVSA-N
GCLH
(6R,7R)-Benzhydryl3-(chloromethyl)-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
(6R,7R)-Benzhydryl 3-(chloromethyl)-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
AKOS005146281
7-Phenylacetamido-3-chloromethyl-3-cephem-4-carboxylic acid di-phenyl methyl ester
CS-W006966
AS-14132
MFCD00191254
diphenylmethyl 3-chloromethyl-7beta-phenylacetamidoceph-3-em-4-carboxylate
Benzhydryl 3-chloromethyl-7beta-phenylacetamido-3-cephem-4-carboxylate
benzhydryl [6R,7R]-3-chloromethyl-8-oxo-7-phenylacetylamino-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylate
7-Phenylacetamide-3-chloromethyl-3-cephem-4-carboxylic Acid Diphenylmethyl Ester
64308-63-0
7-PHENYLACETAMIDE-3-CHLOROMETHYL-3-CEPHEM-4-CARBOXYLIC ACID DIPHENYLMETHYL ESTER
GCLH:7-PHENYLACETAMIDO-3-CHLOROMETHYL-3-CEPHEM-4-CARBOXYLIC ACID DIPHENYL METHYL ESTER
7-Phenylacetamide-3-
7-Phenylacetamido-3-chloromethyl-3-Cephem-4-Carboxylic Acid Diphenyl Methyl Ester(GCLH)
7-PHENYLACETAMIDO-3-CHLOROMETHYL-3-CEPHEM-4-CARBOXYLIC ACIDDI-PHENYL METHYL ESTER (GCLH)

MDL Number

MFCD00191254

FAQ

What is Diphenylmethyl (6R,7R)-3-(chloromethyl)-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 64308-63-0)?

Diphenylmethyl (6R,7R)-3-(chloromethyl)-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate is a complex organic compound with a unique structure. It contains a bicyclic ring system, an azabicyclic moiety, and a phenylacetyl group with an amino functionality. This compound is not commonly found in nature and is primarily of interest in pharmaceutical and chemical research.

What are the main uses of Diphenylmethyl (6R,7R)-3-(chloromethyl)-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 64308-63-0)?

Diphenylmethyl (6R,7R)-3-(chloromethyl)-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate is predominantly used in pharmaceutical research and development. It serves as a building block for synthesizing more complex molecules with specific biological activities. Its azabicyclic and phenylacetyl functionalities make it a valuable intermediate in the synthesis of potential drug candidates.

Is Diphenylmethyl (6R,7R)-3-(chloromethyl)-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 64308-63-0) safe?

While Diphenylmethyl (6R,7R)-3-(chloromethyl)-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate is generally safe when handled with appropriate precautions, it should be stored under controlled conditions to minimize potential hazards. Protective measures include using appropriate personal protective equipment (PPE) and ensuring proper ventilation. Safe handling and storage are crucial to prevent any adverse reactions.

How should Diphenylmethyl (6R,7R)-3-(chloromethyl)-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate (CAS: 64308-63-0) be stored?

Diphenylmethyl (6R,7R)-3-(chloromethyl)-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate should be stored at room temperature or below 25°C to maintain stability. Keep the compound away from direct sunlight and store it in a cool, dry place. Use airtight, non-reactive containers to prevent degradation or contamination. Handle with care to avoid skin contact and inhalation of fumes.