p-Nitrobenzyl 3-methylene-7-(phenoxyacetamido)cepham-4-carboxylate 1-oxide

Base Information

• Chemical Name: p-Nitrobenzyl 3-methylene-7-(phenoxyacetamido)cepham-4-carboxylate 1-oxide
• CAS No.: 63427-57-6
• Molecular Formula: C23H21N3O8S
• Molecular Weight: 499.49
• UNII: 0UOR5G6CHT
• Nikkaji Number: J637.493J
• Mol file: 63427-57-6.mol

Synonyms:0UOR5G6CHT;UNII-0UOR5G6CHT;63427-57-6;p-Nitrobenzyl 3-methylene-7-(phenoxyacetamido)cepham-4-carboxylate 1-oxide;5-Thia-1-azabicyclo(4.2.0)octane-2-carboxylic acid, 3-methylene-8-oxo-7-((phenoxyacetyl)amino)-, (4-nitrophenyl)methyl ester, 5-oxide, (6R,7R)-

Chemical Property of p-Nitrobenzyl 3-methylene-7-(phenoxyacetamido)cepham-4-carboxylate 1-oxide

Chemical Property:

• PSA: 185.74000
• LogP: 3.37660
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 499.10493581
• Heavy Atom Count: 35
• Complexity: 892

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C1CS(=O)C2C(C(=O)N2C1C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)COC4=CC=CC=C4
• Isomeric SMILES: C=C1CS(=O)[C@@H]2[C@@H](C(=O)N2C1C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)COC4=CC=CC=C4

Technology Process of p-Nitrobenzyl 3-methylene-7-(phenoxyacetamido)cepham-4-carboxylate 1-oxide

There total 3 articles about p-Nitrobenzyl 3-methylene-7-(phenoxyacetamido)cepham-4-carboxylate 1-oxide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ p-Nitrobenzyl 7-(phenoxyacetamido)-3-methylenecepham-4-carboxylate 1β-oxide (60771-27-9,61375-82-4,63427-57-6,69308-55-0,87303-96-6,119944-11-5)

Guidance literature:

aus entspr. Sulfoxid II mit PBr3;

DOI:10.1021/ja00432a068

Reference yield:

→ (6R)-3-methylene-5ξ,8-dioxo-7t-(2-phenoxy-acetylamino)-(6rH)-5λ4-thia-1-aza-bicyclo[4.2.0]octane-2c-carboxylic acid 4-nitro-benzyl ester (60771-27-9,61375-82-4,63427-57-6,69308-55-0,87303-96-6,119944-11-5)

Guidance literature:

aus 6-Phenoxyacetylaminopenicillansaeure-(4-nitrobenzyl)ester-1-oxid, N-Chlorsuccinimid, SnCl4;

Reference yield:

→ (6R,7R)-3-Methylene-5,8-dioxo-7-(2-phenoxy-acetylamino)-5λ4-thia-1-aza-bicyclo[4.2.0]octane-2-carboxylic acid 4-nitro-benzyl ester (63427-57-6)

Guidance literature:

/BRN= 505357/, 1) SnCl4, 2) CH3OH;

Downstream raw materials:

p-Nitrobenzyl 7-(phenoxyacetamido)-3-methylenecepham-4-carboxylate

(6R)-3-methylene-8-oxo-7t-(2-phenoxy-acetylamino)-(6rH)-5-thia-1-aza-bicyclo[4.2.0]octane-2ξ-carboxylic acid 4-nitro-benzyl ester

(6R,7R)-3-Hydroxy-8-oxo-7-(2-phenoxy-acetylamino)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 4-nitro-benzyl ester

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