3-(Phenoxymethyl)-4-thia-2,6-diazabicyclo[3.2.0]hept-2-EN-7-one

Base Information

Chemical Name:3-(Phenoxymethyl)-4-thia-2,6-diazabicyclo[3.2.0]hept-2-EN-7-one
CAS No.:71698-17-4
Molecular Formula:C₁₁H₁₀N₂O₂S
Molecular Weight:234.279
Hs Code.:2934999090
DSSTox Substance ID:DTXSID20501125
Mol file:71698-17-4.mol

Synonyms:3-(PHENOXYMETHYL)-4-THIA-2,6-DIAZABICYCLO[3.2.0]HEPT-2-EN-7-ONE;71698-17-4;SCHEMBL10913090;DTXSID20501125;AOJBXSXDOLCYGD-UHFFFAOYSA-N;FT-0613867;3-phenoxymethyl-6-oxo-2-thia-4,7-diazabicyclo[3,2,0]hept-3-ene

Suppliers and Price of 3-(Phenoxymethyl)-4-thia-2,6-diazabicyclo[3.2.0]hept-2-EN-7-one

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
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Total 5 raw suppliers

Chemical Property of 3-(Phenoxymethyl)-4-thia-2,6-diazabicyclo[3.2.0]hept-2-EN-7-one

Chemical Property:

Vapor Pressure:5.25E-10mmHg at 25°C
Refractive Index:1.748
Boiling Point:496.8°C at 760 mmHg
PKA:12.27±0.40(Predicted)
Flash Point:254.2°C
PSA：79.48000
Density:1.54g/cm³
LogP:0.74670
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:234.04629874
Heavy Atom Count:16
Complexity:326

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)OCC2=NC3C(S2)NC3=O

Technology Process of 3-(Phenoxymethyl)-4-thia-2,6-diazabicyclo[3.2.0]hept-2-EN-7-one

There total 3 articles about 3-(Phenoxymethyl)-4-thia-2,6-diazabicyclo[3.2.0]hept-2-EN-7-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:

: 59175-67-6
(E)-4-bromo-3-methyl-2-((1R)-7-oxo-3-phenoxymethyl-(1rH,5cH)-4-thia-2,6-diaza-bicyclo[3.2.0]hept-2-en-6-yl)-but-2-enoic acid methyl ester

: 35500-75-5,71698-17-4,133647-43-5
(1S)-3-phenoxymethyl-(1rH,5cH)-4-thia-2,6-diaza-bicyclo[3.2.0]hept-2-en-7-one

Guidance literature:: With 2,6-dimethylpyridine; silver trifluoromethanesulfonate; tert-butyl alcohol; In diethyl ether;
DOI:10.1021/ja00443a047