(4-FLUOROPHENYLTHIO)ACETONITRILE

Base Information

• Chemical Name: (4-FLUOROPHENYLTHIO)ACETONITRILE
• CAS No.: 18527-21-4
• Molecular Formula: C8H6FNS
• Molecular Weight: 167.2
• Hs Code.: 2930909090
• Mol file: 18527-21-4.mol

Synonyms:Acetonitrile,[(4-fluorophenyl)thio]- (9CI);Acetonitrile, [(p-fluorophenyl)thio]- (8CI);(4-Fluorophenylthio)acetonitrile;

Chemical Property of (4-FLUOROPHENYLTHIO)ACETONITRILE

Chemical Property:

• Vapor Pressure: 0.0175mmHg at 25°C
• Melting Point: 32 °C
• Refractive Index: 1.541
• Boiling Point: 265.2 °C at 760 mmHg
• Flash Point: 114.2 °C
• PSA: 49.09000
• Density: 1.23 g/cm³
• LogP: 2.44138

Purity/Quality:

98%min ^*data from raw suppliers

(4-Fluorophenylthio)acetonitrile 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (4-FLUOROPHENYLTHIO)ACETONITRILE

There total 5 articles about (4-FLUOROPHENYLTHIO)ACETONITRILE 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: 76.0%

benzyl-(4-fluorophenyl)-sulfide (351-67-7) + 2-aminoacetonitrile hydrochloride (6011-14-9) → 2-((4-fluorophenyl)thio)acetonitrile (18527-21-4)

Guidance literature:

With (phthalocyaninato)iron(II); sodium nitrite; In chloroform; water; at 40 ℃; for 14h; Inert atmosphere;

DOI:10.1039/C8CC08821G

Reference yield: 45.0%

4-Fluorothiophenol (371-42-6) + 2-aminoacetonitrile hydrochloride (6011-14-9) → 2-((4-fluorophenyl)thio)acetonitrile (18527-21-4)

Guidance literature:

2-aminoacetonitrile hydrochloride; With FeCl(tiprp); sodium nitrite; In toluene; at 55 ℃; Inert atmosphere; Flow reactor;

4-Fluorothiophenol; In toluene; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1039/c8ob01991f

Reference yield:

4-Fluorothiophenol (371-42-6) + chloroacetonitrile (107-14-2) → 2-((4-fluorophenyl)thio)acetonitrile (18527-21-4)

Guidance literature:

With sodium ethanolate;

upstream raw materials:

4-Fluorothiophenol

chloroacetonitrile

cyanomethyl bromide

2-aminoacetonitrile hydrochloride

Downstream raw materials:

2-[(4-fluorophenyl)sulfonyl]-1-phenylethan-1-one

(4-fluoro-benzenesulphonyl)-acetonitrile

Refernces

• 1、 Empel, Claire,Hock, Katharina J.,Koenigs, Rene M.. "Iron-catalysed carbene-transfer reactions of diazo acetonitrile". supporting information. p. 7129 - 7133. Retrieved 2018/10/24.
• 2、 Tsui, Gavin Chit,Glenadel, Quentin,Lau, Chan,Lautens, Mark. "Rhodium(I)-catalyzed addition of arylboronic acids to (benzyl-/ arylsulfonyl)acetonitriles: Efficient synthesis of (Z)-β- sulfonylvinylamines and β-Keto sulfones". supporting information; experimental part. p. 208 - 211. Retrieved 2011/03/19.