2-(chloromethyl)-2H-1,4-benzothiazin-3(4H)-one

Base Information

Chemical Name:2-(chloromethyl)-2H-1,4-benzothiazin-3(4H)-one
CAS No.:139331-42-3
Molecular Formula:C9H8ClNOS
Molecular Weight:213.68
Hs Code.:2934999090
DSSTox Substance ID:DTXSID10549410
Mol file:139331-42-3.mol

Synonyms:139331-42-3;2-(chloromethyl)-2H-1,4-benzothiazin-3(4H)-one;2-(chloromethyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one;2-(chloromethyl)-4H-1,4-benzothiazin-3-one;2H-1,4-Benzothiazin-3(4H)-one, 2-(chloromethyl)-;SCHEMBL10729385;DTXSID10549410;XDCANWZDLUKZCT-UHFFFAOYSA-N;AKOS000119329;AKOS022180926;EN300-23805;2-chloromethyl-2H-1,4-benzothiazin-3(4H)-one;2-(Chloromethyl)-2H-benzo[b][1,4]thiazin-3(4H)-one;Z164708878

Suppliers and Price of 2-(chloromethyl)-2H-1,4-benzothiazin-3(4H)-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
Packaging
price

TRC
2-(chloromethyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one
25mg
$ 45.00

American Custom Chemicals Corporation
2-(CHLOROMETHYL)-2H-1,4-BENZOTHIAZIN-3(4H)-ONE 95.00%
5G
$ 1548.26

American Custom Chemicals Corporation
2-(CHLOROMETHYL)-2H-1,4-BENZOTHIAZIN-3(4H)-ONE 95.00%
2.5G
$ 1227.82

American Custom Chemicals Corporation
2-(CHLOROMETHYL)-2H-1,4-BENZOTHIAZIN-3(4H)-ONE 95.00%
1G
$ 852.55

Total 3 raw suppliers

Chemical Property of 2-(chloromethyl)-2H-1,4-benzothiazin-3(4H)-one

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Refractive Index:1.6
Boiling Point:410.5°Cat760mmHg
Flash Point:202°C
PSA：57.89000
Density:1.329g/cm³
LogP:2.42330
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:213.0015127
Heavy Atom Count:13
Complexity:212

Purity/Quality:

97% ^*data from raw suppliers

2-(chloromethyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)NC(=O)C(S2)CCl

Technology Process of 2-(chloromethyl)-2H-1,4-benzothiazin-3(4H)-one

There total 3 articles about 2-(chloromethyl)-2H-1,4-benzothiazin-3(4H)-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: 58.7%

: 139331-61-6
2-hydroxymethyl-2H-1,4-benzothiazin-3(4H)-one

: 139331-42-3
2-chloromethyl-2H-1,4-benzothiazin-3(4H)-one

Guidance literature:: With thionyl chloride; In chloroform; for 2h; Heating;
DOI:10.1248/cpb.39.2888

Reference yield:

: ethyl acetate n-hexane

: 139331-61-6
2-hydroxymethyl-2H-1,4-benzothiazin-3(4H)-one

: 139331-42-3
2-chloromethyl-2H-1,4-benzothiazin-3(4H)-one

Guidance literature:: With thionyl chloride; In chloroform;

Reference yield:

: 28731-96-6
3-Oxo-3,4-dihydro-2H-1,4-benzothiazin-2-carbonsaeure-ethylester

: 139331-42-3
2-chloromethyl-2H-1,4-benzothiazin-3(4H)-one

Guidance literature:: Multi-step reaction with 2 steps

1: 50.8 percent / NaBH₄ / ethanol / 2 h / Ambient temperature

2: 58.7 percent / SOCl₂ / CHCl₃ / 2 h / Heating

With sodium tetrahydroborate; thionyl chloride; In ethanol; chloroform;
DOI:10.1248/cpb.39.2888