Phenol, 2-(2-benzothiazolyl)-6-methoxy-

Base Information

• Chemical Name: Phenol, 2-(2-benzothiazolyl)-6-methoxy-
• CAS No.: 6265-93-6
• Molecular Formula: C14H11NO2S
• Molecular Weight: 257.313
• NSC Number: 33162
• DSSTox Substance ID: DTXSID80978218
• Nikkaji Number: J2.773.311E
• Wikidata: Q82963549
• ChEMBL ID: CHEMBL1509336
• Mol file: 6265-93-6.mol

Synonyms:2-(2'-hydroxy-3'-methoxyphenyl)benzothiazole

Chemical Property of Phenol, 2-(2-benzothiazolyl)-6-methoxy-

Chemical Property:

• Vapor Pressure: 5.06E-08mmHg at 25°C
• Boiling Point: 442.4°Cat760mmHg
• Flash Point: 221.3°C
• Density: 1.36g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 257.05104977
• Heavy Atom Count: 18
• Complexity: 289

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1O)C2=NC3=CC=CC=C3S2

Technology Process of Phenol, 2-(2-benzothiazolyl)-6-methoxy-

There total 15 articles about Phenol, 2-(2-benzothiazolyl)-6-methoxy- 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: 96.0%

3-methoxy-2-hydroxybenzaldehyde (148-53-8) + 2-amino-benzenethiol (137-07-5) → 2-(2′-hydroxy-3′-methoxyphenyl)benzothiazole (6265-93-6)

Guidance literature:

With cadmium sulphide; In methanol; at 20 ℃; for 0.416667h; Catalytic behavior; Irradiation;

DOI:10.1016/j.tetlet.2012.12.044

Reference yield: 86.0%

C26H18N2O3S3 (1403894-38-1) → 3H-1,2-benzodithiol-3-one (1677-27-6) + 2-(2′-hydroxy-3′-methoxyphenyl)benzothiazole (6265-93-6)

Guidance literature:

With sodium hydrogensulfide; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

DOI:10.1039/c2cc36141h

Reference yield: 29.0%

3-methoxysalicylic acid (877-22-5) + 2-amino-benzenethiol (137-07-5) → 2-(2′-hydroxy-3′-methoxyphenyl)benzothiazole (6265-93-6)

Guidance literature:

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

upstream raw materials:

zinc 2-aminobenzenethiolate

3-methoxy-2-hydroxybenzaldehyde

3-methoxysalicylic acid

2-amino-benzenethiol

Downstream raw materials:

C₁₇H₁₃NO₃S

C₂₆H₁₈N₂O₃S₃