2,5-DIFLUOROPHENYL ISOTHIOCYANATE

Base Information

• Chemical Name: 2,5-DIFLUOROPHENYL ISOTHIOCYANATE
• CAS No.: 206559-57-1
• Molecular Formula: C₇H₃F₂NS
• Molecular Weight: 171.17
• Hs Code.: 29309090
• Mol file: 206559-57-1.mol

Synonyms:1,4-Difluoro-2-isothiocyanatobenzene;

Chemical Property of 2,5-DIFLUOROPHENYL ISOTHIOCYANATE

Chemical Property:

• Appearance/Colour: colorless toyellow liquid
• Vapor Pressure: 0.867mmHg at 25°C
• Refractive Index: n20/D 1.602(lit.)
• Boiling Point: 230.465 °C at 760 mmHg
• Flash Point: 93.182 °C
• PSA: 44.45000
• Density: 1.26 g/cm³
• LogP: 2.69910
• Sensitive.: Moisture Sensitive

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,5-Difluorophenyl isothiocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,T
• Hazard Codes: C,T
• Statements: 34-36/37/38-20/21/22
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2,5-DIFLUOROPHENYL ISOTHIOCYANATE

There total 1 articles about 2,5-DIFLUOROPHENYL 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:

2,5-difluoroaniline (367-30-6) + N,N-Dimethylthiocarbamoyl chloride (16420-13-6) → 1,4-difluoro-2-isothiocyanatobenzene (206559-57-1)

Guidance literature:

In toluene; for 3h; Reflux;

DOI:10.1002/cmdc.201500304

Reference yield: 70.6%

4-cyclopentylamino-2-(4-(4-methylpiperazin-1-yl)phenylamino)-5-aminopyrimidine (330551-07-0) + 1,4-difluoro-2-isothiocyanatobenzene (206559-57-1) → 8-(2,5-difluorophenylamino)-9-cyclopentyl-2-(4-(4-methylpiperazin-1-yl)phenylamino)-9H-purine (1350545-20-8)

Guidance literature:

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 10.5h; Reflux;

Reference yield: 56.0%

cyclopentanecarboxylic acid hydrazide (3400-07-5) + 1,4-difluoro-2-isothiocyanatobenzene (206559-57-1) → 1-cyclopentanoyl-4-(2,5-difluorophenyl)thiosemicarbazide

Guidance literature:

In ethanol; Reflux;

DOI:10.1080/14756366.2021.1931164

upstream raw materials:

2,5-difluoroaniline

N,N-Dimethylthiocarbamoyl chloride

Downstream raw materials:

8-(2,5-difluorophenylamino)-9-cyclopentyl-2-(4-(4-methylpiperazin-1-yl)phenylamino)-9H-purine

Refernces