2-Benzothiazolinone, 5-chloro-3-(4-methylpiperazin-1-YL)carbonylmethyl-

Base Information

Chemical Name:2-Benzothiazolinone, 5-chloro-3-(4-methylpiperazin-1-YL)carbonylmethyl-
CAS No.:33354-22-2
Molecular Formula:C14H16ClN3O2S
Molecular Weight:325.81
Hs Code.:
DSSTox Substance ID:DTXSID20186971
Nikkaji Number:J69.858J
Wikidata:Q83058445
Mol file:33354-22-2.mol

Synonyms:NTA-272;33354-22-2;BRN 1223705;2-BENZOTHIAZOLINONE, 5-CHLORO-3-(4-METHYLPIPERAZIN-1-YL)CARBONYLMETHYL-;5-Chloro-3-(4-methylpiperazin-1-yl)carbonylmethyl-2-benzothiazolinone;C14H16ClN3O2S;DTXSID20186971;LS-40882;Piperazine, 1-[(5-chloro-2-oxo-3(2H)-benzothiazolyl)acetyl]-4-methyl-;Piperazine, 1-[(5-chloro-2-oxo-3-benzothiazolinyl)acetyl]-4-methyl-

Suppliers and Price of 2-Benzothiazolinone, 5-chloro-3-(4-methylpiperazin-1-YL)carbonylmethyl-

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

Total 3 raw suppliers

Chemical Property of 2-Benzothiazolinone, 5-chloro-3-(4-methylpiperazin-1-YL)carbonylmethyl-

Chemical Property:

Vapor Pressure:2.01E-11mmHg at 25°C
Boiling Point:532.6°C at 760 mmHg
PKA:6.73±0.10(Predicted)
Flash Point:275.9°C
PSA：73.79000
Density:1.396g/cm³
LogP:1.36620
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:325.0651756
Heavy Atom Count:21
Complexity:428

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CCN(CC1)C(=O)CN2C3=C(C=CC(=C3)Cl)SC2=O

Technology Process of 2-Benzothiazolinone, 5-chloro-3-(4-methylpiperazin-1-YL)carbonylmethyl-

There total 5 articles about 2-Benzothiazolinone, 5-chloro-3-(4-methylpiperazin-1-YL)carbonylmethyl- 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:

: 20600-44-6
5-chloro-1,3-benzothiazol-2(3H)-one

: 33354-22-2
5-chloro-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2(3H)-one

Guidance literature:: Multi-step reaction with 4 steps

1: potassium carbonate / acetone / Microwave irradiation

2: potassium hydroxide / ethanol; water / Microwave irradiation

3: thionyl chloride / toluene / Microwave irradiation

4: potassium carbonate / tetrahydrofuran / Microwave irradiation

With thionyl chloride; potassium carbonate; potassium hydroxide; In tetrahydrofuran; ethanol; water; acetone; toluene;
DOI:10.1055/s-0032-1327613

Reference yield:

: 85750-08-9
ethyl (5-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate

: 33354-22-2
5-chloro-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2(3H)-one

Guidance literature:: Multi-step reaction with 3 steps

1: potassium hydroxide / ethanol; water / Microwave irradiation

2: thionyl chloride / toluene / Microwave irradiation

3: potassium carbonate / tetrahydrofuran / Microwave irradiation

With thionyl chloride; potassium carbonate; potassium hydroxide; In tetrahydrofuran; ethanol; water; toluene;
DOI:10.1055/s-0032-1327613

Reference yield:

: 54769-25-4
2-(5-chloro-2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetic acid

: 33354-22-2
5-chloro-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-benzothiazol-2(3H)-one

Guidance literature:: Multi-step reaction with 2 steps

1: thionyl chloride / toluene / Microwave irradiation

2: potassium carbonate / tetrahydrofuran / Microwave irradiation

With thionyl chloride; potassium carbonate; In tetrahydrofuran; toluene;
DOI:10.1055/s-0032-1327613