Pyridinium, 2-(((2-carboxy-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)methyl)-1-methyl-, hydroxide, inner salt, (5R-(5alpha,6alpha(R*)))-

Base Information

Chemical Name:Pyridinium, 2-(((2-carboxy-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)methyl)-1-methyl-, hydroxide, inner salt, (5R-(5alpha,6alpha(R*)))-
CAS No.:91615-54-2
Molecular Formula:C₁₆H₁₈N₂O₄S
Molecular Weight:334.396
Hs Code.:
UNII:WZ0S8GB09V
DSSTox Substance ID:DTXSID60919629
Wikidata:Q27293075

Pyridinium, 2-(((2-carboxy-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)methyl)-1-methyl-, hydroxide, inner salt, (5R-(5alpha,6alpha(R*)))-

Synonyms:3-((N-methylpyridinium)-2-yl-methylthio)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylate;BMY 25174;BMY-25174;pyridinium, 2-(((2-carboxy-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)methyl)-1-methyl-, hydroxide, inner salt, (5R-(5.alpha.,6.alpha.(R*)))-

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Chemical Property of Pyridinium, 2-(((2-carboxy-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)methyl)-1-methyl-, hydroxide, inner salt, (5R-(5alpha,6alpha(R*)))-

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:g/cm³
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:334.09872823
Heavy Atom Count:23
Complexity:545

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C1C2CC(=C(N2C1=O)C(=O)[O-])SCC3=CC=CC=[N+]3C)O
Isomeric SMILES:C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)[O-])SCC3=CC=CC=[N+]3C)O

Technology Process of Pyridinium, 2-(((2-carboxy-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)methyl)-1-methyl-, hydroxide, inner salt, (5R-(5alpha,6alpha(R*)))-

There total 2 articles about Pyridinium, 2-(((2-carboxy-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)methyl)-1-methyl-, hydroxide, inner salt, (5R-(5alpha,6alpha(R*)))- 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: 70.0%

: 114473-64-2
Trifluoro-methanesulfonate2-[(S)-2-allyloxycarbonyl-6-((R)-1-hydroxy-ethyl)-7-oxo-1-aza-bicyclo[3.2.0]hept-2-en-3-ylsulfanylmethyl]-1-methyl-pyridinium;

: 91615-54-2,108590-70-1
C₁₆H₁₈N₂O₄S

Guidance literature:: With pyrrolidine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; triphenylphosphine; In acetonitrile; at 0 ℃; for 0.166667h;
DOI:10.1016/S0040-4039(00)96512-2

Reference yield:

: 91616-52-3,108590-69-8
(S)-6-((R)-1-Hydroxy-ethyl)-7-oxo-3-(pyridin-2-ylmethylsulfanyl)-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid allyl ester

: 91615-54-2,108590-70-1
C₁₆H₁₈N₂O₄S

Guidance literature:: Multi-step reaction with 2 steps

1: acetonitrile / 0 °C

2: 70 percent / pyrrolidine / Pd(PPh₃)4, PPh₃ / acetonitrile / 0.17 h / 0 °C

With pyrrolidine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; triphenylphosphine; In acetonitrile;
DOI:10.1016/S0040-4039(00)96512-2