(6R,7R)-7-{[(2S)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Basic Information

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CAS Number

144790-28-3

Molecular Formula

C16H17N3O5S

Molecular Weight

363.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

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

Basic Physical Properties

SMILES

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CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O

InChI

InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11+,15+/m0/s1

InChIKey

BOEGTKLJZSQCCD-FIXISWKDSA-N

LogP

0.15049999999999925

Topological Polar Surface Area

132.95999999999998 Å²

Hydrogen Bond Donor/Acceptor

5 / 8

Complexity

629

Synonyms & References

English

UNII-08N128E9PI
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2S)-amino(4-hydroxyphenyl)acetyl)amino)-3-methyl-8-oxo-, (6R,7R)-
(6R,7R)-7-[[(2S)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(6R,7R)-7-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
KBio3_001157
CEFADROXIL IMPURITY D [EP IMPURITY]
EN300-20142285
08N128E9PI
CEFADROXIL MONOHYDRATE IMPURITY D [EP IMPURITY]
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((amino(4-hydroxyphenyl)acetyl)amino)-3-methyl-8-oxo-, (6R-(6alpha,7beta(S*)))-
Q27236413
L-Cefadroxil
Cefadroxil monohydrate impurity D [EP]
5-THIA-1-AZABICYCLO(4.2.0)OCT-2-ENE-2-CARBOXYLIC ACID, 7-((AMINO(4-HYDROXYPHENYL)ACETYL)AMINO)-3-METHYL-8-OXO-, (6R-(6.ALPHA.,7.BETA.(S*)))-
Cefadroxil anhydrous, L-
(6R,7R)-7-(((2S)-2-Amino-2-(4-hydroxyphenyl)acetyl)amino)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
NCGC00178903-01
144790-28-3
(6R,7R)-7-[(2S)-2-amino-2-(4-hydroxyphenyl)acetamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Cefadroxil impurity D [EP]
Cefadroxil, L-
DTXSID70162806
BSPBio_001937
CHEMBL3039310
Spectrum3_000329
(6R,7R)-7-((S)-2-Amino-2-(4-hydroxyphenyl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[[(2S)-amino(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-, (6R,7R)-(9CI)
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[[(2S)-amino(4-hydroxyphenyl)acetyl]am...
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-[[(2S)-amino(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-, (6R,7R)-(
Cefadroxil Related Compound D
Cefadroxil EP Impurity D

MDL Number

MFCD00056874

FAQ

What are the physical and chemical properties of (6R,7R)-7-{[(2S)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 144790-28-3)?

This compound is a white crystalline solid with a molecular weight of approximately 452.4 g/mol. It has a low solubility in water but is soluble in organic solvents like methanol and DMSO. It is reactive, showing high nucleophilicity at the amino group and potential for esterification and amidation reactions.

How is (6R,7R)-7-{[(2S)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 144790-28-3) typically synthesized?

This compound is synthesized through a multi-step process involving peptide coupling reactions and condensation reactions. Commonly, a protected amino acid is coupled with an appropriate linker to form the desired structure. Catalysts such as HATU or EDC are used, and the yield can typically reach up to 70-80% with high selectivity.

What industries use (6R,7R)-7-{[(2S)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 144790-28-3)?

This compound is primarily used in the pharmaceutical industry for the development of novel drug candidates due to its biological activity. It also finds applications in the polymer industry as a functional monomer for advanced materials and in the sensor industry for its reactivity and selectivity towards specific analytes.

What precautions should be taken when handling (6R,7R)-7-{[(2S)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 144790-28-3)?

Handle this compound in a well-ventilated fume hood due to its potential toxicity and reactivity. Wear appropriate personal protective equipment (PPE) including gloves, laboratory coat, and safety goggles. Store in a cool, dry place away from heat sources. In case of spill, neutralize with a suitable base and dispose of according to local hazardous waste regulations. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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(6R,7R)-7-{[(2S)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS No. 144790-28-3

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties of (6R,7R)-7-{[(2S)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 144790-28-3)?

How is (6R,7R)-7-{[(2S)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 144790-28-3) typically synthesized?

What industries use (6R,7R)-7-{[(2S)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 144790-28-3)?

What precautions should be taken when handling (6R,7R)-7-{[(2S)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (CAS: 144790-28-3)?

Related Compounds

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