Benzhydryl 7-amino-8-oxo-3-prop-1-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride

Base Information

• Chemical Name: Benzhydryl 7-amino-8-oxo-3-prop-1-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride
• CAS No.: 106447-41-0
• Molecular Formula: C₂₃H₂₂N₂O₃S
• Molecular Weight: 406.505
• DSSTox Substance ID: DTXSID80694047
• Mol file: 106447-41-0.mol

Synonyms:106447-41-0;DTXSID80694047;7-Amino-8-oxo-3-(cis-prop-1-enyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenylmethyl ester hydrochloride;FT-0655359;Diphenylmethyl 7-amino-8-oxo-3-(prop-1-en-1-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate--hydrogen chloride (1/1)

Chemical Property of Benzhydryl 7-amino-8-oxo-3-prop-1-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride

Chemical Property:

• PSA: 97.93000
• LogP: 4.83200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 442.1117915
• Heavy Atom Count: 30
• Complexity: 674

Purity/Quality:

98%,99%, ^*data from raw suppliers

7-Amino-8-oxo-3-(cis-prop-1-enyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid diphenylmethyl esterHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzhydryl 7-amino-8-oxo-3-prop-1-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride

There total 3 articles about Benzhydryl 7-amino-8-oxo-3-prop-1-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;hydrochloride 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: 44.0%

→ diphenylmethyl 7-amino-3-((Z)-1-propen-1-yl)-3-cephem-4-carboxylate (106447-41-0)

Guidance literature:

Reference yield:

Diphenylmethyl 7-Phenylacetamido-3-((Z)-propen-1-yl)ceph-3-em-4-carboxylate → diphenylmethyl 7-amino-3-((Z)-1-propen-1-yl)-3-cephem-4-carboxylate (106447-41-0)

Guidance literature:

With pyridine; phosphorus pentachloride; In methanol; dichloromethane;

Reference yield:

→ diphenylmethyl 7β-amino-3-[(Z)-1-propen-1-yl]-3-cephem-4-carboxylate (106447-41-0)

Guidance literature:

Refernces

• 1、 -. "3-(substituted)propenyl-7-(aminothiazolylacetamido) ceph-3-em-4-carboxylic acids and esters thereof". . . Retrieved 2008/06/13.
• 2、 -. "7-amino-3-propenylcephalosporanic acid and esters thereof". . . Retrieved 2008/06/13.