6-Acetyl-2(3H)-benzothiazolone

Base Information

Chemical Name:6-Acetyl-2(3H)-benzothiazolone
CAS No.:133044-44-7
Molecular Formula:C9H7NO2S
Molecular Weight:193.226
Hs Code.:2934200090
European Community (EC) Number:681-107-5
DSSTox Substance ID:DTXSID20351021
Nikkaji Number:J579.473K
Wikidata:Q72434821
Mol file:133044-44-7.mol

Synonyms:133044-44-7;6-Acetyl-2(3H)-benzothiazolone;6-Acetylbenzo[d]thiazol-2(3H)-one;6-acetyl-3H-1,3-benzothiazol-2-one;2(3H)-Benzothiazolone,6-acetyl-(9CI);6-Acetyl-1,3-benzothiazol-2(3H)-one;1-(2-Hydroxybenzo[d]thiazol-6-yl)ethanone;MFCD02660572;6-acetyl-2,3-dihydro-1,3-benzothiazol-2-one;SCHEMBL5727371;SCHEMBL23409082;6-acetyl-3H-benzthiazole-2-one;6-Acetyl-3H-benzothiazol-2-one;DTXSID20351021;UFRAIEFXNRTICG-UHFFFAOYSA-N;AMY22105;2(3H)-Benzothiazolone, 6-acetyl-;AKOS015888827;6-Acetyl-1,3-benzothiazole-2(3)-one;6-Acetyl-2(3H)-benzothiazolone, 97%;6-ethanoyl-3H-1,3-benzothiazol-2-one;BS-20680;FT-0688537;D88049;A806542

Suppliers and Price of 6-Acetyl-2(3H)-benzothiazolone

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

Sigma-Aldrich
6-Acetyl-2(3H)-benzothiazolone 97%
10g
$ 156.00

Sigma-Aldrich
6-Acetyl-2(3H)-benzothiazolone 97%
1g
$ 28.70

Crysdot
6-Acetylbenzo[d]thiazol-2(3H)-one 97%
250mg
$ 70.00

Crysdot
6-Acetylbenzo[d]thiazol-2(3H)-one 97%
1g
$ 208.00

Biosynth Carbosynth
6-Acetyl-2(3H)-benzothiazolone
25 g
$ 487.50

Biosynth Carbosynth
6-Acetyl-2(3H)-benzothiazolone
10 g
$ 220.00

Biosynth Carbosynth
6-Acetyl-2(3H)-benzothiazolone
1 g
$ 66.00

Biosynth Carbosynth
6-Acetyl-2(3H)-benzothiazolone
5 g
$ 150.00

Biosynth Carbosynth
6-Acetyl-2(3H)-benzothiazolone
2 g
$ 100.00

Apolloscientific
6-Acetyl-2(3H)-benzothiazolone 95%
1g
$ 90.00

Total 32 raw suppliers

Chemical Property of 6-Acetyl-2(3H)-benzothiazolone

Chemical Property:

Melting Point:190-194°C
Refractive Index:1.635
PKA:9.76±0.20(Predicted)
PSA：78.17000
Density:1.36 g/cm³
LogP:1.79220
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:193.01974964
Heavy Atom Count:13
Complexity:254

Purity/Quality:

99% ^*data from raw suppliers

6-Acetyl-2(3H)-benzothiazolone 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C1=CC2=C(C=C1)NC(=O)S2

Technology Process of 6-Acetyl-2(3H)-benzothiazolone

There total 5 articles about 6-Acetyl-2(3H)-benzothiazolone 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: 90.0%

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

: 75-36-5
acetyl chloride

: 133044-44-7
6-acetyl-3H-1,3-benzothiazol-2-one

Guidance literature:: With aluminum (III) chloride; N,N-dimethyl-formamide; at 90 ℃; for 8h;
DOI:10.1016/j.ejmech.2017.06.006

Reference yield: 87.0%

: 51360-57-7
3-acetyl-2(3H)-benzothiazolone

: 133044-44-7
6-acetyl-3H-1,3-benzothiazol-2-one

Guidance literature:: With zinc(II) chloride; at 155 ℃; for 3h;
DOI:10.1080/10426500307842

Reference yield: 64.0%

: 1373399-25-7
C₁₁H₁₂INO₃

: 133044-44-7
6-acetyl-3H-1,3-benzothiazol-2-one

Guidance literature:: C₁₁H₁₂INO₃; With copper(l) iodide; sodiumsulfide nonahydrate; In N,N-dimethyl-formamide; at 80 ℃; Inert atmosphere;

With acetic acid; In N,N-dimethyl-formamide; at 130 ℃; for 36h; Inert atmosphere;
DOI:10.1016/j.tetlet.2012.03.006