1,3-Benzenediol, 4-(2-benzothiazolyl)-

Base Information

• Chemical Name: 1,3-Benzenediol, 4-(2-benzothiazolyl)-
• CAS No.: 6265-56-1
• Molecular Formula: C13H9NO2S
• Molecular Weight: 243.286
• NSC Number: 33005
• DSSTox Substance ID: DTXSID20978212
• Nikkaji Number: J1.846.994D
• ChEMBL ID: CHEMBL1408767
• Mol file: 6265-56-1.mol

Synonyms:6265-56-1;1,3-Benzenediol, 4-(2-benzothiazolyl)-;MHY553;NSC33005;4-(1,3-benzothiazol-2-yl)benzene-1,3-diol;MHY 553;2-(2,4-dihydroxyphenyl)benzothiazole;4-(2-Benzothiazolyl)-1,3-benzenediol;BRN 0214134;2-(2',4'-Dihydroxyphenyl)benzothiazole;MLS000737656;CHEMBL1408767;NSC 33005;4-(Benzo[d]thiazol-2-yl)benzene-1,3-diol;4-27-00-02266 (Beilstein Handbook Reference);C13H9NO2S;C13-H9-N-O2-S;SCHEMBL7192101;DTXSID20978212;HMS2771D15;ARK102866;BDBM50339940;NSC-33005;NCGC00246928-01;LS-29931;SMR000393824

Chemical Property of 1,3-Benzenediol, 4-(2-benzothiazolyl)-

Chemical Property:

• Vapor Pressure: 0.000202mmHg at 25°C
• Boiling Point: 314.1°C at 760 mmHg
• Flash Point: 143.8°C
• Density: 1.506g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 243.03539970
• Heavy Atom Count: 17
• Complexity: 276

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)C3=C(C=C(C=C3)O)O

Technology Process of 1,3-Benzenediol, 4-(2-benzothiazolyl)-

There total 6 articles about 1,3-Benzenediol, 4-(2-benzothiazolyl)- 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: 85.2%

2-amino-benzenethiol (137-07-5) + 2,4-Dihydroxybenzaldehyde (95-01-2) → 2-(2,4-dihydroxyphenyl)-1,3-benzothiazole-4,6-diol (6265-56-1)

Guidance literature:

With sodium metabisulfite; In N,N-dimethyl-formamide; for 2h; Reflux;

DOI:10.1016/j.dyepig.2016.12.011

Reference yield: 70.0%

4-hydroxysalicylic acid (89-86-1) + 2-amino-benzenethiol (137-07-5) → 2-(2,4-dihydroxyphenyl)-1,3-benzothiazole-4,6-diol (6265-56-1)

Guidance literature:

With phosphorus trichloride; In toluene; for 4h; Heating;

Reference yield: 15.2%

→ 2-(2,4-dihydroxyphenyl)-1,3-benzothiazole-4,6-diol (6265-56-1)

Guidance literature:

In methanol; at 20 ℃; for 22h;

upstream raw materials:

2-chlorobenzo[d][1,3]thiazole

recorcinol

zinc 2-aminobenzenethiolate

2,4-Dihydroxybenzaldehyde

Downstream raw materials:

C₃₁H₂₄N₂O₄S

2',7'-di(1H-benzo[d]thiazol-2-yl)-3',6'-dihydroxy-3H-spiro[isobenzofuran-1-9'-xanthen]-3-one