2-FLUOROBENZYL ISOTHIOCYANATE

Base Information

• Chemical Name: 2-FLUOROBENZYL ISOTHIOCYANATE
• CAS No.: 64382-80-5
• Molecular Formula: C8H6FNS
• Molecular Weight: 167.207
• Hs Code.: 2930909090
• Mol file: 64382-80-5.mol

Synonyms:2-Fluorobenzylisothiocyanate;

Chemical Property of 2-FLUOROBENZYL ISOTHIOCYANATE

Chemical Property:

• Vapor Pressure: 0.0462mmHg at 25°C
• Refractive Index: 1.545
• Boiling Point: 244.9 °C at 760 mmHg
• Flash Point: 101.9 °C
• PSA: 44.45000
• Density: 1.12 g/cm³
• LogP: 2.42850
• Storage Temp.: Keep Cold

Purity/Quality:

98%min ^*data from raw suppliers

2-FluorobenzylIsothiocyanate ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-FLUOROBENZYL ISOTHIOCYANATE

There total 1 articles about 2-FLUOROBENZYL ISOTHIOCYANATE 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: 92.0%

carbon disulfide (75-15-0,12122-00-8) + 2-fluorobenzylamine (89-99-6) → 1-fluoro-2-(isothiocyanatomethyl)benzene (64382-80-5)

Guidance literature:

carbon disulfide; 2-fluorobenzylamine; In diethyl ether; for 0.25h; Cooling with ice;

With dicyclohexyl-carbodiimide; In diethyl ether; at 20 ℃; for 24h;

DOI:10.2174/157340612800493665

Reference yield: 89.0%

6-(aminomethyl)-2-methylquinazolin-4-(3H)-one dihydrochloride + 1-fluoro-2-(isothiocyanatomethyl)benzene (64382-80-5) → 1-(2-fluorobenzyl)-3-((2-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)methyl)thiourea (1384521-73-6)

Guidance literature:

6-(aminomethyl)-2-methylquinazolin-4-(3H)-one dihydrochloride; With triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

1-fluoro-2-(isothiocyanatomethyl)benzene; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.2174/157340612800493665

Reference yield: 77.0%

1-fluoro-2-(isothiocyanatomethyl)benzene (64382-80-5) + (S)-Pyrrolidine-2-carboxylic acid [(S)-1-(benzyl-methyl-carbamoyl)-2-phenyl-ethyl]-amide; hydrochloride → (S)-1-(2-Fluoro-benzylthiocarbamoyl)-pyrrolidine-2-carboxylic acid [(S)-1-(benzyl-methyl-carbamoyl)-2-phenyl-ethyl]-amide

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; Ambient temperature;

DOI:10.1021/jm970499g

upstream raw materials:

carbon disulfide

2-fluorobenzylamine

Downstream raw materials:

3-(2-Fluoro-benzyl)-1-(2-hydroxy-ethyl)-1-methyl-thiourea

1-(2-Fluoro-benzyl)-3-(2-hydroxy-ethyl)-thiourea

1-Allyl-3-(2-fluoro-benzyl)-thiourea

1-(2-Fluoro-benzyl)-3-(3-hydroxy-propyl)-thiourea

Refernces