4-Fluorobenzyl phenyl sulfide

Base Information

• Chemical Name: 4-Fluorobenzyl phenyl sulfide
• CAS No.: 351-66-6
• Molecular Formula: C13H11 F S
• Molecular Weight: 218.295
• Hs Code.: 2930909090
• European Community (EC) Number: 670-588-7
• DSSTox Substance ID: DTXSID40371968
• Nikkaji Number: J309.038H
• Wikidata: Q82159539
• Mol file: 351-66-6.mol

Synonyms:351-66-6;4-Fluorobenzyl phenyl sulfide;1-fluoro-4-(phenylsulfanylmethyl)benzene;(4-Fluorobenzyl)(phenyl)sulfane;Benzene,1-fluoro-4-[(phenylthio)methyl]-;1-fluoro-4-[(phenylthio)methyl]benzene;1-fluoro-4-[(phenylsulfanyl)methyl]benzene;4-Fluorobenzyl phenyl sulphide;4-Fluorobenzylphenyl sulfide;SCHEMBL776308;C13H11FS;DTXSID40371968;MFCD00040831;STL289231;AKOS016027673;FS-6326;1-fluoranyl-4-(phenylsulfanylmethyl)benzene;CS-0318007;FT-0618520;W18463;A822620

Chemical Property of 4-Fluorobenzyl phenyl sulfide

Chemical Property:

• Melting Point: 59 °C
• Boiling Point: 319.8°Cat760mmHg
• Flash Point: 147.2°C
• PSA: 25.30000
• Density: 1.17g/cm³
• LogP: 4.11800
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 218.05654969
• Heavy Atom Count: 15
• Complexity: 169

Purity/Quality:

98%Min ^*data from raw suppliers

4-FLUOROBENZYLPHENYLSULFIDE ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 23/24/25
• Safety Statements: 24/25-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SCC2=CC=C(C=C2)F

Technology Process of 4-Fluorobenzyl phenyl sulfide

There total 14 articles about 4-Fluorobenzyl phenyl sulfide 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: 97.0%

1-fluoro-4-((phenylsulfinyl)methyl)benzene (153706-08-2) → 1-[(phenylthio)methyl]-4-fluoro-benzene (351-66-6)

Guidance literature:

With trifluoromethylsulfonic anhydride; potassium iodide; In acetonitrile; at 20 ℃; for 0.05h;

DOI:10.1055/s-2008-1067190

Reference yield: 92.0%

(1,3-dimethyl-1H-imidazol-3-ium-2-yl)bis(phenylthio)hydroborate + 4-Fluorobenzyl bromide (459-46-1) → 1-[(phenylthio)methyl]-4-fluoro-benzene (351-66-6)

Guidance literature:

In acetonitrile; at 80 ℃; for 3h; Sealed tube;

DOI:10.1021/ol5010164

Reference yield: 92.0%

methyl-phenyl-thioether (100-68-5) + 4-Fluorobenzyl bromide (459-46-1) → 1-[(phenylthio)methyl]-4-fluoro-benzene (351-66-6)

Guidance literature:

With N,N-dimethyl acetamide; at 160 ℃; for 12h; Schlenk technique;

DOI:10.1002/asia.201801679

upstream raw materials:

thiophenol

1-chloromethyl-4-fluorobenzene

O⁶-(4-fluorobenzyl)guanine

sodium thiophenolate

Downstream raw materials:

1-fluoro-4-((phenylsulfonyl)methyl)benzene

Refernces

• 1、 Li, Fuhai,Wang, Dan,Chen, Hongyi,He, Ze,Zhou, Lihong,Zeng, Qingle. "Transition metal-free coupling reactions of benzylic trimethylammonium salts with di(hetero)aryl disulfides and diselenides". supporting information. p. 13029 - 13032. Retrieved 2020/11/07.
• 2、 -. "An aryl alkyl thioether compound and its synthetic method". Paragraph 0182-0185. . Retrieved 2019/02/04.