6-(2-Chloroacetyl)benzo[d]thiazol-2(3H)-one

Base Information

Chemical Name:6-(2-Chloroacetyl)benzo[d]thiazol-2(3H)-one
CAS No.:99615-55-1
Molecular Formula:C9H6ClNO2S
Molecular Weight:227.66744
Hs Code.:2934200090
DSSTox Substance ID:DTXSID90556122
Wikidata:Q82437601
Mol file:99615-55-1.mol

Synonyms:99615-55-1;6-(2-Chloroacetyl)benzo[d]thiazol-2(3H)-one;6-chloroacetyl-2(3H)-benzothiazolone;6-(2-CHLOROACETYL)-3H-1,3-BENZOTHIAZOL-2-ONE;SCHEMBL5467462;DTXSID90556122;IYBCEMNVTVBJOH-UHFFFAOYSA-N;AKOS015888828;6-(2-chloroethanoyl)-3H-benzothiazol-2-one;6-(Chloroacetyl)-1,3-benzothiazol-2(3H)-one;A916987

Suppliers and Price of 6-(2-Chloroacetyl)benzo[d]thiazol-2(3H)-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

Crysdot
6-(2-Chloroacetyl)benzo[d]thiazol-2(3H)-one 95+%
1g
$ 614.00

Chemenu
6-(2-chloroacetyl)benzo[d]thiazol-2(3H)-one 95%
1g
$ 580.00

American Custom Chemicals Corporation
6-(2-CHLOROACETYL)BENZO[D]THIAZOL-2(3H)-ONE 95.00%
5MG
$ 495.39

Alichem
6-(2-Chloroacetyl)benzo[d]thiazol-2(3H)-one
1g
$ 810.81

Total 8 raw suppliers

Chemical Property of 6-(2-Chloroacetyl)benzo[d]thiazol-2(3H)-one

Chemical Property:

Melting Point:281-284 °C (decomp)
PKA:9.56±0.20(Predicted)
PSA：78.43000
Density:1.483±0.06 g/cm3(Predicted)
LogP:2.42340
Storage Temp.:2-8°C
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:226.9807773
Heavy Atom Count:14
Complexity:272

Purity/Quality:

99% ^*data from raw suppliers

6-(2-Chloroacetyl)benzo[d]thiazol-2(3H)-one 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C(C=C1C(=O)CCl)SC(=O)N2

Technology Process of 6-(2-Chloroacetyl)benzo[d]thiazol-2(3H)-one

There total 1 articles about 6-(2-Chloroacetyl)benzo[d]thiazol-2(3H)-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: 98.0%

: 934-34-9
2(3H)-Benzothiazolone

: 79-04-9
chloroacetyl chloride

: 99615-55-1
6-chloroacetyl-2(3H)-benzothiazolone

Guidance literature:: With carbon disulfide; aluminum (III) chloride; for 1.66h; Cooling with ice; Reflux;

Reference yield:

: 99615-55-1
6-chloroacetyl-2(3H)-benzothiazolone

: 99615-61-9
6-(4-Benzyl-piperazine-1-carbonyl)-3H-benzothiazol-2-one

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) pyridine, 2.) sodium hydroxide / 1.) 80-90 deg C, 3 h; water, 70-80 deg C, 4 h

2: 36 percent / diethyl phosphorocyanidate, triethylamine / dimethylformamide / 1.) 0-5 deg C, 30 min; 2.) rt, 1.5 h

With pyridine; sodium hydroxide; diethyl cyanophosphonate; triethylamine; In N,N-dimethyl-formamide;
DOI:10.1248/cpb.36.2253

Reference yield:

: 67-56-1
methanol

: 99615-55-1
6-chloroacetyl-2(3H)-benzothiazolone

: 118620-99-8
methyl 2,3-dihydro-2-oxobenzothiazole-6-carboxylate

Guidance literature:: With pyridine; potassium carbonate; Yield given. Multistep reaction; 1.) 80-90 deg C, 3 h; reflux, 2.5 h;
DOI:10.1248/cpb.36.2253