2-Amino-4,5-difluorobenzenethiol

Base Information

• Chemical Name: 2-Amino-4,5-difluorobenzenethiol
• CAS No.: 131105-93-6
• Molecular Formula: C6H5 F2 N S
• Molecular Weight: 161.1724064
• DSSTox Substance ID: DTXSID50592546
• Wikidata: Q82486713
• Mol file: 131105-93-6.mol

Synonyms:2-Amino-4,5-difluorobenzenethiol;131105-93-6;Benzenethiol, 2-amino-4,5-difluoro- (9CI);2-Amino-4,5-difluorobenzene-1-thiol;SCHEMBL5968600;DTXSID50592546;AKOS013568394;Benzenethiol, 2-amino-4,5-difluoro-;DB-274237;EN300-392898

Chemical Property of 2-Amino-4,5-difluorobenzenethiol

Chemical Property:

• PSA: 64.82000
• LogP: 2.41690
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 161.01107666
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

99%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1F)F)S)N

Technology Process of 2-Amino-4,5-difluorobenzenethiol

There total 5 articles about 2-Amino-4,5-difluorobenzenethiol 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:

5,6-difluoro-2-methylbenzo[d]thiazole (170881-41-1) → 4,5-difluoro-2-aminothiophenol (131105-93-6)

Guidance literature:

With sodium hydroxide; In ethylene glycol; at 125 ℃; for 3h;

DOI:10.1021/jm0492094

Reference yield:

2,4,5-trifluorothioacetanilide → 4,5-difluoro-2-aminothiophenol (131105-93-6)

Guidance literature:

Multi-step reaction with 2 steps

1: NaH / toluene / 0.5 h / Heating

2: aq. NaOH / ethane-1,2-diol / 3 h / 125 °C

With sodium hydroxide; sodium hydride; In ethylene glycol; toluene;

DOI:10.1021/jm0492094

Reference yield:

2,4,5-trifluoroaniline (367-34-0) → 4,5-difluoro-2-aminothiophenol (131105-93-6)

Guidance literature:

Multi-step reaction with 4 steps

1: pyridine / 2 h / 120 °C

2: phosphorus pentasulfide / benzene / 3 h / Heating

3: NaH / toluene / 0.5 h / Heating

4: aq. NaOH / ethane-1,2-diol / 3 h / 125 °C

With pyridine; diphosphorus pentasulfide; sodium hydroxide; sodium hydride; In ethylene glycol; toluene; benzene;

DOI:10.1021/jm0492094

upstream raw materials:

SKA-42

5,6-difluoro-2-methylbenzo[d]thiazole

2,4,5-trifluoroaniline

N-(2,4,5-trifluorophenyl)acetamide