6-(Methylsulfanyl)-7-phenoxy-5-thia-1-azabicyclo[4.2.0]octan-8-one

Base Information

• Chemical Name: 6-(Methylsulfanyl)-7-phenoxy-5-thia-1-azabicyclo[4.2.0]octan-8-one
• CAS No.: 61298-42-8
• Molecular Formula: C₁₃H₁₅NO₂S₂
• Molecular Weight: 281.4
• DSSTox Substance ID: DTXSID80492146

Synonyms:61298-42-8;DTXSID80492146;6-(Methylsulfanyl)-7-phenoxy-5-thia-1-azabicyclo[4.2.0]octan-8-one

Chemical Property of 6-(Methylsulfanyl)-7-phenoxy-5-thia-1-azabicyclo[4.2.0]octan-8-one

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 281.05442107
• Heavy Atom Count: 18
• Complexity: 333

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC12C(C(=O)N1CCCS2)OC3=CC=CC=C3

Technology Process of 6-(Methylsulfanyl)-7-phenoxy-5-thia-1-azabicyclo[4.2.0]octan-8-one

There total 2 articles about 6-(Methylsulfanyl)-7-phenoxy-5-thia-1-azabicyclo[4.2.0]octan-8-one 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:

5,6-dihydro-2-(methylthio)-4H-1,3-thiazine (58842-19-6) + 2-phenoxyacetic acid (122-59-8) → 6-methylsulfanyl-7-phenoxy-5-thia-1-aza-bicyclo[4.2.0]octan-8-one (61298-42-8)

Guidance literature:

With diethyl chlorophosphate; triethylamine; In dichloromethane;

Reference yield:

5,6-dihydro-2-(methylthio)-4H-1,3-thiazine (58842-19-6) + Phenoxyacetyl chloride (701-99-5) → 6-methylsulfanyl-7c-phenoxy-(6rH)-5-thia-1-aza-bicyclo[4.2.0]octan-8-one (61298-42-8,64227-93-6)

Guidance literature:

With triethylamine; In dichloromethane;

Reference yield:

6-methylsulfanyl-7c-phenoxy-(6rH)-5-thia-1-aza-bicyclo[4.2.0]octan-8-one (61298-42-8,64227-93-6) → 6-methanesulfonyl-5,5-dioxo-7c-phenoxy-(6rH)-5λ6-thia-1-aza-bicyclo[4.2.0]octan-8-one (64227-95-8)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In chloroform;

upstream raw materials:

5,6-dihydro-2-(methylthio)-4H-1,3-thiazine

Phenoxyacetyl chloride

2-phenoxyacetic acid

Downstream raw materials:

6-methanesulfonyl-5,5-dioxo-7c-phenoxy-(6rH)-5λ⁶-thia-1-aza-bicyclo[4.2.0]octan-8-one

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