3-Fluoro-6-methoxythiophenol

Base Information

• Chemical Name: 3-Fluoro-6-methoxythiophenol
• CAS No.: 84884-41-3
• Molecular Formula: C7H7FOS
• Molecular Weight: 158.19300
• Hs Code.: 2930909090
• European Community (EC) Number: 675-551-9
• DSSTox Substance ID: DTXSID20374598
• Wikidata: Q82163208
• Mol file: 84884-41-3.mol

Synonyms:3-Fluoro-6-methoxythiophenol;5-fluoro-2-methoxybenzenethiol;84884-41-3;5-fluoro-2-methoxythiophenol;5-fluoro-2-methoxybenzene-1-thiol;p-flurothioanisole;SCHEMBL1332080;DTXSID20374598;VXZCEQOKTGGBOB-UHFFFAOYSA-N;AKOS005216009;CS-0302333;FT-0693923;EN300-1262468

Chemical Property of 3-Fluoro-6-methoxythiophenol

Chemical Property:

• Boiling Point: 87°C/3.4mm
• PSA: 48.03000
• LogP: 2.12300
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 158.02016418
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

98%min ^*data from raw suppliers

3-FLUORO-6-METHOXYTHIOPHENOL ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)F)S

Technology Process of 3-Fluoro-6-methoxythiophenol

There total 2 articles about 3-Fluoro-6-methoxythiophenol 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-fluoro-2-methoxy-aniline (1978-39-8) → 5-fluoro-2-methoxybenzenethiol (84884-41-3)

Guidance literature:

Yield given. Multistep reaction;

DOI:10.1135/cccc19823114

Reference yield:

→ 5-fluoro-2-methoxybenzenethiol (84884-41-3)

Guidance literature:

4-Fluor-2-methoxyanilin, nach der Xanthat-Methode;

Reference yield: 71.0%

5-fluoro-2-methoxybenzenethiol (84884-41-3) + 2-chloro-benzaldehyde (89-98-5) → 2-(5-Fluoro-2-methoxyphenylthio)benzaldehyde (84884-42-4)

Guidance literature:

With sodium hydroxide; In N,N,N,N,N,N-hexamethylphosphoric triamide; at 100 ℃; for 3.5h;

DOI:10.1135/cccc19823114

upstream raw materials:

5-fluoro-2-methoxy-aniline

Downstream raw materials:

bis(5-fluoro-2-methoxyphenyl) disulfide

2-(5-Fluoro-2-methoxyphenylthio)-5-nitrobenzaldehyde

2-(5-fluoro-2-methoxyphenylthio)-5-nitrobenzaldehyde diethyl acetal

2-(5-Fluoro-2-methoxyphenylthio)benzaldehyde