PS 5

Base Information

• Chemical Name: PS 5
• CAS No.: 67007-79-8
• Molecular Formula: C₁₃H₁₈N₂O₄S
• Molecular Weight: 298.363
• Mol file: 67007-79-8.mol

Synonyms:Antibiotic PS 5;PS-5;

Chemical Property of PS 5

Chemical Property:

• Vapor Pressure: 1.19E-14mmHg at 25°C
• Boiling Point: 573.6°Cat760mmHg
• Flash Point: 300.7°C
• PSA: 115.50000
• Density: 1.37g/cm³
• LogP: 1.57080

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of PS 5

There total 29 articles about PS 5 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:

(+)-PS-5 ester → PS-5 (67007-79-8)

Guidance literature:

DOI:10.1016/S0040-4039(00)80482-7

Reference yield:

p-Nitrobenzyl (5R,6R)-3-(2-acetamidoethylthio)-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate (71730-34-2) → PS-5 (67007-79-8)

Guidance literature:

With hydrogen; palladium on activated charcoal;

DOI:10.1016/S0040-4039(01)80262-8

Reference yield:

diethyl 2-ethyl-3-oxoglutarate (16631-50-8) → PS-5 (67007-79-8)

Guidance literature:

Multi-step reaction with 11 steps

1: 1) NaBH₃CN, AcONH₄, 2) 6N HCl / 1) ethanol, 2) heating

2: MgO / H₂O

3: 1) H₂ / 1) Pd-C, 2) TsOH

4: 73 percent / CH₂Cl₂ / 10 h / Ambient temperature

5: AlCl₃ / various solvent(s) / 3 h / Ambient temperature

6: DCC

7: 1) N₂O₂, CH₃COONa / 1) CHCl₃, 0 deg C, 1 hr, 2) CCl₄, reflux

8: 83 percent / (TMS)2NLi / tetrahydrofuran / 0.05 h / -78 °C

9: (i-C₃H₇)2NC₂H₅ / acetonitrile / 0 °C

10: (i-C₃H₇)2NC₂H₅ / acetonitrile

11: hydrogen / Pd-C

With hydrogenchloride; aluminium trichloride; N-oxo-N-nitrosoamine; ammonium acetate; hydrogen; sodium acetate; magnesium oxide; sodium cyanoborohydride; N-ethyl-N,N-diisopropylamine; dicyclohexyl-carbodiimide; lithium hexamethyldisilazane; palladium on activated charcoal; toluene-4-sulfonic acid; In tetrahydrofuran; dichloromethane; water; acetonitrile;

DOI:10.1016/S0040-4039(01)80262-8

upstream raw materials:

p-Nitrobenzyl (5R,6R)-3-(2-acetamidoethylthio)-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

p-nitrobenzyl (5R)-3-(2-acetamidoethylthio)-6-(E)-ethylidene-7-oxo-1-azabicyclo<3.2.0>hept-2-ene-2-carboxylate

p-Nitrobenzyl (5R,6R)-3-(2-acetamidoethylthio)-6-[(1S)-1-ethyloxysulphonyloxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

p-nitrobenzyl (5R,6R)-3-(2-acetamidoethylthio)-6-[(S)-1-methylsulphonyloxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Downstream raw materials:

p-Nitrobenzyl (5R,6R)-3-(2-acetamidoethylthio)-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

(5R,6R)-6-Ethyl-7-oxo-3-(2-{3-[((R)-2,2,5,5-tetramethyl-[1,3]dioxane-4-carbonyl)-amino]-propionylamino}-ethylsulfanyl)-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid 4-nitro-benzyl ester

(5R,6R)-3-{2-[3-((R)-2,4-Diacetoxy-3,3-dimethyl-butyrylamino)-propionylamino]-ethylsulfanyl}-6-ethyl-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid 4-nitro-benzyl ester

C₁₃H₁₆N₂O₄S