(6R,7S)-Benzhydryl 7-amino-7-methoxy-3-(((1-methyl-1H-tetrazol-5-YL)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Base Information Edit

Chemical Name:(6R,7S)-Benzhydryl 7-amino-7-methoxy-3-(((1-methyl-1H-tetrazol-5-YL)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS No.:56610-72-1
Molecular Formula:C24H24N6O4S2
Molecular Weight:524.624
Hs Code.:
European Community (EC) Number:611-404-7
UNII:7SSG9SDN2A
DSSTox Substance ID:DTXSID50512224
Nikkaji Number:J3.152.567E
Wikidata:Q72487926
Mol file:56610-72-1.mol

Synonyms:7-MAC;56610-72-1;7SSG9SDN2A;benzhydryl (6R,7S)-7-amino-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;(6R,7S)-BENZHYDRYL 7-AMINO-7-METHOXY-3-(((1-METHYL-1H-TETRAZOL-5-YL)THIO)METHYL)-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLATE;5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-amino-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, diphenylmethyl ester, (6R,7S)-;5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-amino-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, diphenylmethyl ester, (6R-cis)-;7beta-Amino-7alpha-methoxy-3-(1-methyl-5-tetrazolylthio)methyl-3-cephem-4-carboxylic Acid Diphenylmethyl Es;MFCD08704705;C24H24N6O4S2;7MAC;UNII-7SSG9SDN2A;SCHEMBL4712325;DTXSID50512224;BCP06776;AC-557;AKOS015919841;7beta-amino-7alpha-methoxy-3-[(1-methyl-1H-tetrazol-5-yl)S-methyl]-3-cephalosporin-en-4-carboxylic acid diphenyl methyl ester;AS-14610;CID 12882026;M2129;(6r,7s)-benzhydryl-7-amino-7-methoxy-3-((1-methyl-1h-tetrazol-5-ylthio)methyl)-8-oxo-5-thia-1-aza-bicyclo [4.2.0]oct-2-ene-2-carboxylate;7-beta-Amino-7-alpha-methoxy-3-(1-methyl-5-tetrazolylthio)methyl-3-cephem-4-carboxylic Acid Diphenylmethyl Ester;7|A-Amino-7|A-methoxy-3-(1-methyl-5-tetrazolylthio)methyl-3-cephem-4-carboxylic Acid Diphenylmethyl Ester;Diphenylmethyl (6R,7S)-7-Amino-7-methoxy-3-[(1-methyl-1H-tetrazol-5-yl)thiomethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;Diphenylmethyl (6R,7S)-7-amino-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate;DIPHENYLMETHYL 7.BETA.-AMINO-7.ALPHA.-METHOXY-3-(((1-METHYL-1H-TETRAZOL-5-YL)THIO)METHYL)-3-CEPHEM-4-CARBOXYLATE;Diphenylmethyl 7beta-amino-7alpha-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-3-cephem-4-carboxylate;Diphenylmethyl 7beta-Amino-7alpha-methoxy-3-[(1-methyl-1H-tetrazol-5-yl)thiomethyl]-3-cephem-4-carboxylate

Suppliers and Price of (6R,7S)-Benzhydryl 7-amino-7-methoxy-3-(((1-methyl-1H-tetrazol-5-YL)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Supply Marketing:Edit

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
7β-Amino-7α-methoxy-3-(1-methyl-5-tetrazolylthio)methyl-3-cephem-4-carboxylicAcidDiphenylmethylEster
25g
$ 275.00

TRC
7β-Amino-7α-methoxy-3-(1-methyl-5-tetrazolylthio)methyl-3-cephem-4-carboxylicAcidDiphenylmethylEster
5g
$ 130.00

TCI Chemical
7-MAC >95.0%(HPLC)
5g
$ 64.00

TCI Chemical
7-MAC >95.0%(HPLC)
25g
$ 318.00

Medical Isotopes, Inc.
7β-Amino-7α-methoxy-3-(1-methyl-5-tetrazolylthio)methyl-3-cephem-4-carboxylicAcidDiphenylmethylEster
25 g
$ 775.00

Matrix Scientific
7-MAC 95+%
10g
$ 572.00

Matrix Scientific
7-MAC 95+%
5g
$ 399.00

Matrix Scientific
7-MAC 95+%
1g
$ 139.00

Crysdot
7-MAC 95+%
25g
$ 158.00

American Custom Chemicals Corporation
7-MAC 95.00%
10G
$ 1667.82

Total 105 raw suppliers

Chemical Property of (6R,7S)-Benzhydryl 7-amino-7-methoxy-3-(((1-methyl-1H-tetrazol-5-YL)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Edit

Chemical Property:

Appearance/Colour:faint yellow to yellow powder
Vapor Pressure:5.89E-22mmHg at 25°C
Melting Point:120°C(lit.)
Refractive Index:1.733
Boiling Point:743.2 °C at 760 mmHg
PKA:3.39±0.60(Predicted)
Flash Point:403.2 °C
PSA：176.06000
Density:1.5 g/cm³
LogP:2.74380
Storage Temp.:under inert gas (nitrogen or Argon) at 2–8 °C
Solubility.:Chloroform (Slightly), Methanol (Slightly, Heated)
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:9
Exact Mass:524.13004562
Heavy Atom Count:36
Complexity:848

Purity/Quality:

99% ^*data from raw suppliers

7β-Amino-7α-methoxy-3-(1-methyl-5-tetrazolylthio)methyl-3-cephem-4-carboxylicAcidDiphenylmethylEster ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(N)OC)SC2)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5
Isomeric SMILES:CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(N)OC)SC2)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5
Uses 7-MAC is a 7α-methoxycephalosporin derivative used as an intermediate in the preparation of Cefmetazole (C242850) and other semi-synthetic antibiotics.

Technology Process of (6R,7S)-Benzhydryl 7-amino-7-methoxy-3-(((1-methyl-1H-tetrazol-5-YL)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

There total 19 articles about (6R,7S)-Benzhydryl 7-amino-7-methoxy-3-(((1-methyl-1H-tetrazol-5-YL)thio)methyl)-8-oxo-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: 94.1%

: C₃₁H₂₈N₆O₅S₂

: 56610-72-1
diphenylmethyl (6R,7S)-7-amino-7-methoxy-3-<<(1-methyl-1H-tetrazol-5-yl)thio>methyl>-Δ³-cephem-4-carboxylate

Guidance literature:: With pyridine; bis(trichloromethyl) carbonate; In dichloromethane; at -25 - 5 ℃; for 3h; Reagent/catalyst; Temperature; Solvent; Inert atmosphere;