2-Phenyl-5-benzothiazoleacetic acid

Base Information

Chemical Name:2-Phenyl-5-benzothiazoleacetic acid
CAS No.:36774-74-0
Molecular Formula:C₁₅H₁₁NO₂S
Molecular Weight:269.324
Hs Code.:2934999090
UNII:Z5749FL8OK
DSSTox Substance ID:DTXSID60190234
Nikkaji Number:J54.538D
Wikidata:Q83062555
ChEMBL ID:CHEMBL1576823
Mol file:36774-74-0.mol

Synonyms:K 308;K-308

Suppliers and Price of 2-Phenyl-5-benzothiazoleacetic acid

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-Phenyl-5-benzothiazoleacetic acid

Chemical Property:

Vapor Pressure:3.07E-10mmHg at 25°C
Refractive Index:1.7500 (estimate)
Boiling Point:485.5°Cat760mmHg
Flash Point:247.4°C
PSA：78.43000
Density:1.353g/cm³
LogP:3.59040
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:269.05104977
Heavy Atom Count:19
Complexity:330

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2=NC3=C(S2)C=CC(=C3)CC(=O)O

Technology Process of 2-Phenyl-5-benzothiazoleacetic acid

There total 2 articles about 2-Phenyl-5-benzothiazoleacetic acid 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:

: 52321-43-4
(2-phenyl-benzothiazol-5-yl)-malonic acid diethyl ester

: 36774-74-0
(2-phenyl-benzothiazol-5-yl)-acetic acid

Guidance literature:: With sodium ethanolate;
DOI:10.1021/jm00251a004

Reference yield:

: 49702-16-1
(2-phenyl-benzothiazol-5-yl)-acetic acid ethyl ester

: 36774-74-0
(2-phenyl-benzothiazol-5-yl)-acetic acid

Guidance literature:: Multi-step reaction with 2 steps

1: NaOEt

2: NaOEt

With sodium ethanolate;
DOI:10.1021/jm00251a004

Reference yield:

: 36774-74-0
(2-phenyl-benzothiazol-5-yl)-acetic acid

: 52321-51-4
(3-methyl-2-phenyl-2,3-dihydro-benzothiazol-5-yl)-acetic acid

Guidance literature:: Multi-step reaction with 2 steps

1: (i) H₂SO₄, (ii) NaBH₄

2: KOH / methanol

With potassium hydroxide; In methanol;
DOI:10.1021/jm00251a004