Antibiotic PS 6

Base Information

Chemical Name:Antibiotic PS 6
CAS No.:72615-19-1
Molecular Formula:C₁₄H₁₉N₂O₄S*Na
Molecular Weight:334.372
Hs Code.:
DSSTox Substance ID:DTXSID60222943
Nikkaji Number:J135.697F
Wikidata:Q27154997
Metabolomics Workbench ID:98233
Mol file:72615-19-1.mol

Synonyms:5R,6R-3-(2-acetamido)ethylthio-6-isopropyl-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid;antibiotic PS 6;antibiotic PS-6

Suppliers and Price of Antibiotic PS 6

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

American Custom Chemicals Corporation
ANTIBIOTIC PS 6 95.00%
5MG
$ 498.23

Total 4 raw suppliers

Chemical Property of Antibiotic PS 6

Chemical Property:

Vapor Pressure:1.89E-14mmHg at 25°C
Boiling Point:569.4°C at 760 mmHg
Flash Point:298.1°C
PSA：115.50000
Density:1.33g/cm³
LogP:1.81680
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:312.11437830
Heavy Atom Count:21
Complexity:515

Purity/Quality:

95% ^*data from raw suppliers

ANTIBIOTIC PS 6 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C1C2CC(=C(N2C1=O)C(=O)O)SCCNC(=O)C
Isomeric SMILES:CC(C)[C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCNC(=O)C

Technology Process of Antibiotic PS 6

There total 6 articles about Antibiotic PS 6 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: 40.0%

: 135560-72-4
(5R,6R)-benzhydryl 3-<(2-acetamidoethyl)thio>-6-isopropyl-7-oxo-1-azabicyclo<3.2.0>hept-2-ene-2-carboxylate

: 72615-19-1
(5R,6R)-sodium 3-<(2-acetamidoethyl)thio>-6-isopropyl-7-oxo-1-azabicyclo<3.2.0>hept-2-ene-2-carboxylate

Guidance literature:: With aluminium trichloride; methoxybenzene; In dichloromethane; at -50 ℃; for 0.5h;
DOI:10.1021/jo00021a007

Reference yield: 21.0%

: 76217-35-1
(5R,6R)-p-nitrobenzyl 3-<(2-acetamidoethyl)thio>-6-isopropyl-7-oxo-1-azabicyclo<3.2.0>hept-2-ene-2-carboxylate

: 72615-19-1
(5R,6R)-sodium 3-<(2-acetamidoethyl)thio>-6-isopropyl-7-oxo-1-azabicyclo<3.2.0>hept-2-ene-2-carboxylate

Guidance literature:: With hydrogen; sodium hydrogencarbonate; palladium on activated charcoal; In tetrahydrofuran; water; for 4h; Ambient temperature;
DOI:10.1021/jo00021a007

Reference yield:

: 135636-79-2
(2R,5R,6R)-p-nitrobenzyl 6-isopropyl-3,7-dioxo-1-azabicyclo<3.2.0>heptane-2-carboxylate

: 72615-19-1
(5R,6R)-sodium 3-<(2-acetamidoethyl)thio>-6-isopropyl-7-oxo-1-azabicyclo<3.2.0>hept-2-ene-2-carboxylate

Guidance literature:: Multi-step reaction with 3 steps

1: N,N-diisopropylethylamine, 4-(dimethylamino)pyridine / acetonitrile / 1 h

2: N,N-diisopropylamine / 18 h

3: 21 percent / NaHCO₃, H₂ / 10percent Pd/C / H₂O; tetrahydrofuran / 4 h / Ambient temperature

With dmap; hydrogen; sodium hydrogencarbonate; diisopropylamine; N-ethyl-N,N-diisopropylamine; palladium on activated charcoal; In tetrahydrofuran; water; acetonitrile;
DOI:10.1021/jo00021a007