O-(B-ChloroEthoxy)BenzeneSulfonylIsocyanate

Base Information

Chemical Name:O-(B-ChloroEthoxy)BenzeneSulfonylIsocyanate
CAS No.:99722-82-4
Molecular Formula:C9H8 Cl N O4 S
Molecular Weight:261.686
Hs Code.:2929109000
DSSTox Substance ID:DTXSID70598666
Mol file:99722-82-4.mol

Synonyms:99722-82-4;O-(B-ChloroEthoxy)BenzeneSulfonylIsocyanate;2-(2-chloroethoxy)-N-(oxomethylidene)benzenesulfonamide;Benzenesulfonylisocyanate, 2-(2-chloroethoxy)-;2-(2-chloroethoxy)-phenylsulfonyl isocyanate;SCHEMBL8744518;DTXSID70598666;LGUQMNDJBRYRRA-UHFFFAOYSA-N;2-(2-Chloroethoxy)benzene-1-sulfonyl isocyanate

Suppliers and Price of O-(B-ChloroEthoxy)BenzeneSulfonylIsocyanate

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
Packaging
price

American Custom Chemicals Corporation
O-(BETA-CHLORO ETHOXY)BENZENE SULFONYL ISOCYANATE 95.00%
5MG
$ 495.53

Total 8 raw suppliers

Chemical Property of O-(B-ChloroEthoxy)BenzeneSulfonylIsocyanate

Chemical Property:

Boiling Point:383.3±22.0 °C(Predicted)
PSA：81.18000
Density:1.39±0.1 g/cm3(Predicted)
LogP:2.40950
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:260.9862566
Heavy Atom Count:16
Complexity:358

Purity/Quality:

98% ^*data from raw suppliers

O-(BETA-CHLORO ETHOXY)BENZENE SULFONYL ISOCYANATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)OCCCl)S(=O)(=O)N=C=O

Technology Process of O-(B-ChloroEthoxy)BenzeneSulfonylIsocyanate

There total 4 articles about O-(B-ChloroEthoxy)BenzeneSulfonylIsocyanate 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:

: 75-44-5
phosgene

: N-[2-(2-Chloroethoxy)-phenylsulfonyl]-N'-methyl-urea

: 99722-82-4
2-(2-chloroethoxy)benzenesulfonyl isocyanate

Guidance literature:: In chlorobenzene;

Reference yield:

: 79-37-8
oxalyl dichloride

: 82097-01-6
2-(2'-chloroethoxy)-benzenesulfonamide

: 99722-82-4
2-(2-chloroethoxy)benzenesulfonyl isocyanate

Guidance literature:: With 1,4-diaza-bicyclo[2.2.2]octane; In toluene; at 60 - 90 ℃;
DOI:10.1021/acs.jafc.1c02081

Reference yield:

: 3724-14-9
2-hydroxybenzenesulfonamide

: 99722-82-4
2-(2-chloroethoxy)benzenesulfonyl isocyanate

Guidance literature:: Multi-step reaction with 3 steps

1: 1H-imidazole / 4 h / 90 - 160 °C / Inert atmosphere

2: thionyl chloride / N,N-dimethyl acetamide; dichloromethane / 1 h

3: 1,4-diaza-bicyclo[2.2.2]octane / toluene / 60 - 90 °C

With 1,4-diaza-bicyclo[2.2.2]octane; 1H-imidazole; thionyl chloride; In dichloromethane; N,N-dimethyl acetamide; toluene;
DOI:10.1021/acs.jafc.1c02081