1-Methoxy-4-trifluoromethylsulfanyl-benzene

Base Information

• Chemical Name: 1-Methoxy-4-trifluoromethylsulfanyl-benzene
• CAS No.: 78914-94-0
• Molecular Formula: C8H7F3OS
• Molecular Weight: 208.204
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID40510279
• Nikkaji Number: J785.120K
• Wikidata: Q82368460
• Mol file: 78914-94-0.mol

Synonyms:78914-94-0;1-Methoxy-4-trifluoromethylsulfanyl-benzene;4-(trifluoromethylthio)anisole;4-((Trifluoromethyl)thio)anisole;1-methoxy-4-(trifluoromethylsulfanyl)benzene;Benzene,1-methoxy-4-[(trifluoromethyl)thio]-;4-thiotrifluoromethylanisole;SCHEMBL10973567;DTXSID40510279;PLIVNXMRWMEULU-UHFFFAOYSA-N;MFCD04972971;AKOS037621796;(4-methoxyphenyl)(trifluoromethyl)sulfane;1-Methoxy-4-[(trifluoromethyl)thio]benzene;1-methoxy-4-[(trifluoromethyl)sulfanyl]benzene

Chemical Property of 1-Methoxy-4-trifluoromethylsulfanyl-benzene

Chemical Property:

• Boiling Point: 162.7 °C at 760 mmHg
• Flash Point: 52.2 °C
• PSA: 34.53000
• Density: 1.3 g/cm³
• LogP: 3.30710
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 208.01697050
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

98%min ^*data from raw suppliers

SG000419:1-Methoxy-4-trifluoromethylsulfanyl-benzene 98 ^*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=CC=C(C=C1)SC(F)(F)F

Technology Process of 1-Methoxy-4-trifluoromethylsulfanyl-benzene

There total 53 articles about 1-Methoxy-4-trifluoromethylsulfanyl-benzene 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: 98.0%

(4-trifluoromethylthio)phenol (461-84-7) + methyl iodide (74-88-4) → 4-methoxyphenyl trifluoromethylsulfide (78914-94-0)

Guidance literature:

With [bmim]BF₄; potassium carbonate; In water; at 20 ℃; for 0.166667h;

DOI:10.1016/j.jfluchem.2007.02.018

Reference yield: 98.0%

1-{[bromo(difluoro)methyl]sulfanyl}-4-methoxybenzene (81931-97-7) → 4-methoxyphenyl trifluoromethylsulfide (78914-94-0)

Guidance literature:

With silver tetrafluoroborate; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1002/anie.201504665

Reference yield: 92.0%

para-iodoanisole (696-62-8) + (trifluoromethyl)trimethylsilane (81290-20-2) → 4-methoxyphenyl trifluoromethylsulfide (78914-94-0)

Guidance literature:

With potassium phosphate; 1,10-Phenanthroline; sodium thiosulfate; copper(l) chloride; In dimethyl sulfoxide; at 80 ℃;

DOI:10.1016/j.tetlet.2014.07.039

upstream raw materials:

4-Methoxybenzenethiol

iodotrifluoromethane

Bromotrifluoromethane

potassium p-methoxybenzene thiolate

Downstream raw materials:

1-methoxy-4-((trifluoromethyl)sulfonyl)benzene

1-methoxy-4-((trifluoromethyl)sulfinyl)benzene

4-methoxylbiphenyl

rhodium hydrido (PEt₃)3 complex