Benzhydryl (6R,7R)-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Base Information

Chemical Name:Benzhydryl (6R,7R)-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS No.:112953-21-6
Molecular Formula:C₃₄H₂₉N₃O₄S₂
Molecular Weight:607.754
Hs Code.:
DSSTox Substance ID:DTXSID70564700
Wikidata:Q82449499
Mol file:112953-21-6.mol

Benzhydryl (6R,7R)-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Synonyms:112953-21-6;Benzhydryl (6R,7R)-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7R);(6R,7R)-7-Phenylacetamido-3-[(Z)-2-(4-methylthiazol-5-yl)ethenyl]-3-cephem-4-carboxylic Acid Diphenyl Methyl Ester;DTXSID70564700;AMY42115;Diphenylmethyl (6R,7R)-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Suppliers and Price of Benzhydryl (6R,7R)-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
(6R,7R)-7-Phenylacetamido-3-[(Z)-2-(4-methylthiazol-5-yl)ethenyl]-3-cephem-4-carboxylicAcidDiphenylMethylEster
5mg
$ 155.00

Total 2 raw suppliers

Chemical Property of Benzhydryl (6R,7R)-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Chemical Property:

PSA：145.63000
LogP:6.47240
XLogP3:5.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:607.15994876
Heavy Atom Count:43
Complexity:1060

Purity/Quality:

97% ^*data from raw suppliers

(6R,7R)-7-Phenylacetamido-3-[(Z)-2-(4-methylthiazol-5-yl)ethenyl]-3-cephem-4-carboxylicAcidDiphenylMethylEster ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(SC=N1)C=CC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6
Isomeric SMILES:CC1=C(SC=N1)/C=C\C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6
Uses Intermediate in the preparation of Cephalosporin antibiotics and derivatives.

Technology Process of Benzhydryl (6R,7R)-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

There total 2 articles about Benzhydryl (6R,7R)-3-[(Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 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:

: 107550-89-0
4-(diphenylmethoxycarbonyl)-7β-phenylacetamidoceph-3-en-3-ylmethylphosphonium iodide

: 112953-21-6
Diphenylmethyl (6R,7R)-3-<(Z)-2-(4-Methyl-1,3-thiazol-5-yl)vinyl>-7-phenylacetamidoceph-3-em-4-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 10percent aq. sodium carbonate / CH₂Cl₂ / 2 h

2: aq. sodium hydrogen carbonate / CH₂Cl₂ / 24 h

With sodium hydrogencarbonate; sodium carbonate; In dichloromethane;

Reference yield:

: 82294-70-0
4-methyl-1,3-thiazole-5-carbaldehyde

: 91439-21-3
cephalosporin 3'-triphenylphosphonium ylide

: 112953-21-6
Diphenylmethyl (6R,7R)-3-<(Z)-2-(4-Methyl-1,3-thiazol-5-yl)vinyl>-7-phenylacetamidoceph-3-em-4-carboxylate

: 135299-73-9
Diphenylmethyl (6R,7R)-3-<(E)-2-(4-Methyl-1,3-thiazol-5-yl)vinyl>-7-phenylacetamidoceph-3-em-4-carboxylate

Guidance literature:: With sodium hydrogencarbonate; for 24h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

Reference yield:

: 112953-21-6
Diphenylmethyl (6R,7R)-3-<(Z)-2-(4-Methyl-1,3-thiazol-5-yl)vinyl>-7-phenylacetamidoceph-3-em-4-carboxylate

: 135299-73-9
Diphenylmethyl (6R,7R)-3-<(E)-2-(4-Methyl-1,3-thiazol-5-yl)vinyl>-7-phenylacetamidoceph-3-em-4-carboxylate

: C₂₁H₁₈N₃O₄S₂^(1-)*Na⁽¹⁺⁾

: C₂₁H₁₈N₃O₄S₂^(1-)*Na⁽¹⁺⁾

Guidance literature:: Diphenylmethyl (6R,7R)-3-<(Z)-2-(4-Methyl-1,3-thiazol-5-yl)vinyl>-7-phenylacetamidoceph-3-em-4-carboxylate; Diphenylmethyl (6R,7R)-3-<(E)-2-(4-Methyl-1,3-thiazol-5-yl)vinyl>-7-phenylacetamidoceph-3-em-4-carboxylate; With phenol; at 50 - 55 ℃; for 5h;

With sodium hydrogencarbonate; In water; ethyl acetate; at 10 ℃; Product distribution / selectivity;