1-Fluoro-2-methyl-4-(methylsulfanyl)benzene

Base Information

• Chemical Name: 1-Fluoro-2-methyl-4-(methylsulfanyl)benzene
• CAS No.: 252555-29-6
• Molecular Formula: C₈H₉FS
• Molecular Weight: 156.224
• DSSTox Substance ID: DTXSID40573662
• Nikkaji Number: J1.190.955H
• Wikidata: Q82462456
• Mol file: 252555-29-6.mol

Synonyms:252555-29-6;(4-FLUORO-3-METHYLPHENYL)(METHYL)SULFANE;Benzene, 1-fluoro-2-methyl-4-(methylthio)- (9CI);1-Fluoro-2-methyl-4-(methylsulfanyl)benzene;1-FLUORO-2-METHYL-4-(METHYLTHIO)-BENZENE;1-fluoro-2-methyl-4-methylsulfanylbenzene;SCHEMBL8772911;DTXSID40573662;AKOS006315547;4-Fluoro-3-methylphenyl methyl sulfide;CS-0190396;E90541

Chemical Property of 1-Fluoro-2-methyl-4-(methylsulfanyl)benzene

Chemical Property:

• PSA: 25.30000
• LogP: 2.85600
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 156.04089962
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

99%+ ^*data from raw suppliers

1-FLUORO-2-METHYL-4-(METHYLTHIO)-BENZENE ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)SC)F

Technology Process of 1-Fluoro-2-methyl-4-(methylsulfanyl)benzene

There total 7 articles about 1-Fluoro-2-methyl-4-(methylsulfanyl)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: 11.0%

p-fluorothioanisole (371-15-3) + methyl iodide (74-88-4) → 1-fluoro-2-methyl-4-methylsulfanyl-benzene (252555-29-6) + 2-fluoro-1,3-dimethyl-5-methylsulfanyl-benzene + 1-fluoro-2,5-dimethyl-4-methylsulfanyl-benzene + 2-fluoro-1,3,4-trimethyl-5-methylsulfanyl-benzene

Guidance literature:

p-fluorothioanisole; With 2,2,6,6-tetramethylpiperidinyl-lithium; In tetrahydrofuran; hexane; at -80 ℃; for 4h;

methyl iodide; In tetrahydrofuran; hexane; at 20 ℃; Title compound not separated from byproducts;

DOI:10.1016/S0022-1139(99)00097-4

Reference yield:

p-fluorothioanisole (371-15-3) + methyl iodide (74-88-4) → 4-methylphenyl methylsulfide (623-13-2) + 1,2-Dimethyl-4-(methylthio)benzene (65398-69-8) + 1-(Ethylthio)-4-fluorobenzene (2924-75-6) + 1-fluoro-2-methyl-4-methylsulfanyl-benzene (252555-29-6)

Guidance literature:

p-fluorothioanisole; With n-butyllithium; In tetrahydrofuran; hexane; at -50 ℃; for 6h;

methyl iodide; In tetrahydrofuran; hexane; at 20 ℃; for 3h; Title compound not separated from byproducts;

DOI:10.1016/S0022-1139(99)00097-4

Reference yield:

p-fluorothioanisole (371-15-3) + methyl iodide (74-88-4) → 1-(Ethylthio)-4-fluorobenzene (2924-75-6) + 1-fluoro-2-methyl-4-methylsulfanyl-benzene (252555-29-6)

Guidance literature:

p-fluorothioanisole; With n-butyllithium; In tetrahydrofuran; hexane; at -100 ℃; for 6h;

methyl iodide; In tetrahydrofuran; hexane; at 20 ℃; for 3h; Title compound not separated from byproducts;

DOI:10.1016/S0022-1139(99)00097-4

upstream raw materials:

p-fluorothioanisole

methyl iodide

sec.-butyllithium