4-(1,3-Benzothiazol-2-yl)-2-methoxyphenol

Base Information

• Chemical Name: 4-(1,3-Benzothiazol-2-yl)-2-methoxyphenol
• CAS No.: 36341-25-0
• Molecular Formula: C14H11 N O2 S
• Molecular Weight: 257.313
• Hs Code.: 2934200090
• DSSTox Substance ID: DTXSID00425537
• Nikkaji Number: J2.018.144C
• Wikidata: Q82238423
• ChEMBL ID: CHEMBL1607932
• Mol file: 36341-25-0.mol

Synonyms:2-(4-hydroxy-3-methoxyphenyl)benzothiazole;YL-109

Chemical Property of 4-(1,3-Benzothiazol-2-yl)-2-methoxyphenol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.685
• Boiling Point: 446.448°C at 760 mmHg
• Flash Point: 223.804°C
• PSA: 70.59000
• Density: 1.327g/cm³
• LogP: 3.67750
• Storage Temp.: 2-8°C
• 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:

97% ^*data from raw suppliers

YL-109 >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)O

Technology Process of 4-(1,3-Benzothiazol-2-yl)-2-methoxyphenol

There total 8 articles about 4-(1,3-Benzothiazol-2-yl)-2-methoxyphenol 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: 95.0%

vanillin (121-33-5,8014-42-4) + 2-amino-benzenethiol (137-07-5) → 4-(1,3-benzothiazol-2-yl)-2-methoxyphenol (36341-25-0)

Guidance literature:

With 1-pentyl-3-methylimidazolium bromide; for 0.0666667h; microwave irradiation;

DOI:10.1246/cl.2004.274

Reference yield: 90.0%

vanillin (121-33-5,8014-42-4) + 2-Aminophenyl disulfide (1141-88-4) → 4-(1,3-benzothiazol-2-yl)-2-methoxyphenol (36341-25-0)

Guidance literature:

With oxygen; In water; for 4h; Catalytic behavior; Reflux; Green chemistry;

DOI:10.1039/c5ra14894d

Reference yield: 86.0%

C14H12INO3 (1173707-00-0) → 4-(1,3-benzothiazol-2-yl)-2-methoxyphenol (36341-25-0)

Guidance literature:

C₁₄H₁₂INO₃; With sodiumsulfide nonahydrate; In N,N-dimethyl-formamide; at 80 ℃; for 12h; Schlenk technique; Sealed tube;

With hydrogenchloride; In N,N-dimethyl-formamide; at 20 ℃; for 10h;

DOI:10.1016/j.mcat.2022.112115

upstream raw materials:

2-aminobenzenethiol hydrochloride

vanillin

zinc 2-aminobenzenethiolate

2-amino-benzenethiol