2,4-Difluorophenyl isocyanate

Base Information

• Chemical Name: 2,4-Difluorophenyl isocyanate
• CAS No.: 59025-55-7
• Molecular Formula: C7H3F2NO
• Molecular Weight: 155.104
• Hs Code.: 29291090
• Mol file: 59025-55-7.mol

Synonyms:2,4-difluoro-1-isocyanato-benzene;

Chemical Property of 2,4-Difluorophenyl isocyanate

Chemical Property:

• Appearance/Colour: Clear colorless to faintly yellow liquid
• Refractive Index: n20/D 1.490(lit.)
• Boiling Point: 162.746 °C at 760 mmHg
• Flash Point: 50.556 °C
• PSA: 29.43000
• Density: 1.247 g/cm³
• LogP: 1.93210
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive/Lachrymatory

Purity/Quality:

99% ^*data from raw suppliers

2,4-Difluorophenyl isocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, T, Xi
• Hazard Codes: Xn,T,Xi
• Statements: 20/21/22-36/37/38-42-10
• Safety Statements: 26-36/37-45-36/37/39-16

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2,4-Difluorophenyl isocyanate has been used:in the synthesis of N,N-disubstituted S,N′-diarylisothioureasas blocking reagent, to modify the hydroxyl, amine and epoxide functional groups of cured MY720/DDS epoxy thin films

Technology Process of 2,4-Difluorophenyl isocyanate

There total 4 articles about 2,4-Difluorophenyl isocyanate 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: 50.0%

phosgene (75-44-5) + C9H13F2NSi → 2,4-diflurophenylisocyanate (59025-55-7)

Guidance literature:

In toluene; at 15 - 20 ℃; for 1h;

DOI:10.1134/S1070363206010208

Reference yield:

bis(trichloromethyl) carbonate (32315-10-9) + 2,4-difluorophenylamine (367-25-9,76563-56-9) → 2,4-diflurophenylisocyanate (59025-55-7)

Guidance literature:

With dmap; triethylamine; In toluene; at 0 - 80 ℃; for 3h;

DOI:10.1016/j.cclet.2014.03.046

Reference yield:

phosgene (75-44-5) + 2,4-difluorophenylamine (367-25-9,76563-56-9) → 2,4-diflurophenylisocyanate (59025-55-7)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; water; toluene; at 0 - 20 ℃;

DOI:10.1016/j.bmc.2009.09.051

upstream raw materials:

phosgene

2,4-difluorophenylamine

bis(trichloromethyl) carbonate

Downstream raw materials:

4-semicarbazone-3(S)-[2-(2-oxo-5-phenyl-3(R)-(2,4-difluorophenylcarbamoyloxymethyl)-2,3-dihydro-benzo[e][1,4]diazepin-1-yl)acetylamino]butyric acid tert-butyl ester

Refernces

• 1、 Sun, Ying,Shan, Yuanyuan,Li, Chuansheng,Si, Ru,Pan, Xiaoyan,Wang, Binghe,Zhang, Jie. "Discovery of novel anti-angiogenesis agents. Part 8: Diaryl thiourea bearing 1H-indazole-3-amine as multi-target RTKs inhibitors". . p. 373 - 385. Retrieved 2017/10/16.
• 2、 Zhong, Shi Hua,Fan, Ming Liang,Liu, Bing Yu,Wei, Dong Mei,Liu, Jian Bing. "Synthesis and crystal structure of N-(3-benzylamino-2-cyano-3- methylthioacrylyl)-N′-(substituted phenyl)ureas". . p. 295 - 300. Retrieved 2013/07/27.