prop-2-enyl (5R,6S)-3-ethylsulfanyl-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Base Information

Chemical Name:prop-2-enyl (5R,6S)-3-ethylsulfanyl-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
CAS No.:76496-44-1
Molecular Formula:C13H17NO4S2
Molecular Weight:315.414
Hs Code.:
Nikkaji Number:J319.334I
Mol file:76496-44-1.mol

Synonyms:

Suppliers and Price of prop-2-enyl (5R,6S)-3-ethylsulfanyl-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Supply Marketing:

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

Manufacturers and distributors:

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Total 5 raw suppliers

Chemical Property of prop-2-enyl (5R,6S)-3-ethylsulfanyl-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Chemical Property:

Boiling Point:514.1±50.0 °C(Predicted)
PKA:14.16±0.20(Predicted)
PSA：117.44000
Density:1.38±0.1 g/cm3(Predicted)
LogP:1.48780
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:315.05990037
Heavy Atom Count:20
Complexity:477

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCSC1=C(N2C(S1)C(C2=O)C(C)O)C(=O)OCC=C
Isomeric SMILES:CCSC1=C(N2[C@H](S1)[C@H](C2=O)[C@@H](C)O)C(=O)OCC=C

Technology Process of prop-2-enyl (5R,6S)-3-ethylsulfanyl-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

There total 53 articles about prop-2-enyl (5R,6S)-3-ethylsulfanyl-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-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: 60.0%

: 74-96-4
ethyl bromide

: 87131-55-3
(5R,6S)-6-((R)-1-Hydroxy-ethyl)-7-oxo-3-thioxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid allyl ester

: 76496-44-1
allyl (5R,6S)-6-(R)-1-hydroxyethyl-3-(ethylthio)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Guidance literature:: With N-ethyl-N,N-diisopropylamine; at -20 ℃; for 16h;

Reference yield:

: 80629-49-8
(5S,6S)-3-Ethylsulfanyl-7-oxo-6-[(R)-1-(2,2,2-trichloro-ethoxycarbonyloxy)-ethyl]-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid allyl ester

: 76496-44-1
allyl (5R,6S)-6-(R)-1-hydroxyethyl-3-(ethylthio)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: toluene / Heating; equilibrium

2: zinc

With zinc; In toluene;
DOI:10.1016/S0040-4039(01)81938-9