2,6-Dibromo-4-fluorothioanisole

Base Information

• Chemical Name: 2,6-Dibromo-4-fluorothioanisole
• CAS No.: 38366-77-7
• Molecular Formula: C₇H₅Br₂FS
• Molecular Weight: 299.989
• DSSTox Substance ID: DTXSID50532008
• Wikidata: Q82404287
• Mol file: 38366-77-7.mol

Synonyms:2,6-Dibromo-4-fluorothioanisole;38366-77-7;Benzene, 1,3-dibromo-5-fluoro-2-(methylthio)-;1,3-Dibromo-5-fluoro-2-(methylsulfanyl)benzene;(2,6-Dibromo-4-fluorophenyl)(methyl)sulfane;1,3-dibromo-5-fluoro-2-methylsulfanylbenzene;DTXSID50532008;MFCD28784957;CS-0193146;E93795

Chemical Property of 2,6-Dibromo-4-fluorothioanisole

Chemical Property:

• PSA: 25.30000
• LogP: 4.07260
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 299.84423
• Heavy Atom Count: 11
• Complexity: 122

Purity/Quality:

99% ^*data from raw suppliers

2,6-Dibromo-4-fluorothioanisole 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=C(C=C(C=C1Br)F)Br

Technology Process of 2,6-Dibromo-4-fluorothioanisole

There total 3 articles about 2,6-Dibromo-4-fluorothioanisole 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:

2,6-dibromo-4-fluoroaniline (344-18-3) → 2,6-dibromo-4-fluorothioanisole (38366-77-7)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) NaNO₂, aq. HCl, (ii) aq. EtOCS₂K, (iii) KOH

2: aq. KOH

With potassium hydroxide;

DOI:10.1016/S0022-328X(00)88909-3

Reference yield:

2,6-dibromo-4-fluoroaniline (344-18-3) + cuprous methylmercaptide (4856-13-7) → 2,6-dibromo-4-fluorothioanisole (38366-77-7)

Guidance literature:

With sulfuric acid; sodium nitrite; Yield given. Multistep reaction; 1.) H2O, 4 deg C, 2.) -> RT, 0.5 h;

Reference yield:

2,6-Dibrom-4-fluorothiophenol (38366-78-8) + dimethyl sulfate (77-78-1) → 2,6-dibromo-4-fluorothioanisole (38366-77-7)

Guidance literature:

With potassium hydroxide;

DOI:10.1016/S0022-328X(00)88909-3

upstream raw materials:

2,6-dibromo-4-fluoroaniline

cuprous methylmercaptide

2,6-Dibrom-4-fluorothiophenol

dimethyl sulfate