2,4-Difluoro-5-formylbenzonitrile

Base Information

• Chemical Name: 2,4-Difluoro-5-formylbenzonitrile
• CAS No.: 633327-10-3
• Molecular Formula: C8H3F2NO
• Molecular Weight: 167.115
• Mol file: 633327-10-3.mol

Synonyms:2,4-Difluoro-5-formylbenzonitrile

Chemical Property of 2,4-Difluoro-5-formylbenzonitrile

Chemical Property:

• Boiling Point: 213.8±35.0 °C(Predicted)
• PSA: 40.86000
• Density: 1.35±0.1 g/cm3(Predicted)
• LogP: 1.64898
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

98% ^*data from raw suppliers

2,4-Difluoro-5-formylbenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2,4-Difluoro-5-formylbenzonitrile

There total 5 articles about 2,4-Difluoro-5-formylbenzonitrile 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: 81.0%

acetyloxy(2,4-difluoro-5-cyanophenyl)methyl acetate → 2,4-difluoro-5-formylbenzonitrile (633327-10-3)

Guidance literature:

With sulfuric acid; In ethanol; water; at 100 ℃; for 2h;

Reference yield:

5-bromo-2,4-difluorobenzaldehyde (473416-91-0) + copper(I) cyanide (544-92-3) → 2,4-difluoro-5-formylbenzonitrile (633327-10-3)

Guidance literature:

In 1-methyl-pyrrolidin-2-one; at 175 ℃; for 4h;

Reference yield:

1,5-difluoro-2-iodo-4-methylbenzene (333447-42-0) → 2,4-difluoro-5-formylbenzonitrile (633327-10-3)

Guidance literature:

Multi-step reaction with 3 steps

1: N,N-dimethyl-formamide / 3 h / 160 °C

2: acetic acid; sulfuric acid; chromium(VI) oxide / 2 h / 0 - 5 °C

3: sulfuric acid / ethanol; water / 2 h / 100 °C

With chromium(VI) oxide; sulfuric acid; acetic acid; In ethanol; water; N,N-dimethyl-formamide;

upstream raw materials:

5-bromo-2,4-difluorobenzaldehyde

copper(I) cyanide

1,5-difluoro-2-iodo-4-methylbenzene

2,4-difluoro-5-methylbenzonitrile

Downstream raw materials:

6-fluoro-1H-indazole-5-carbonitrile

Refernces

• 1、 Chen, Wen-Hua,Song, Shan-Shan,Qi, Ming-Hui,Huan, Xia-Juan,Wang, Ying-Qing,Jiang, Hualiang,Ding, Jian,Ren, Guo-Bin,Miao, Ze-Hong,Li, Jian. "Discovery of potent 2,4-difluoro-linker poly(ADPribose) polymerase 1 inhibitors with enhanced water solubility and in vivo anticancer efficacy". . p. 1521 - 1532. Retrieved 2017/11/09.