2-cyano-5-fluorobenzaldehyde

Base Information

• Chemical Name: 2-cyano-5-fluorobenzaldehyde
• CAS No.: 894779-76-1
• Molecular Formula: C8H4FNO
• Molecular Weight: 149.124
• Hs Code.: 2926907090
• Mol file: 894779-76-1.mol

Synonyms:4-fluoro-2-formylbenzonitrile;

Chemical Property of 2-cyano-5-fluorobenzaldehyde

Chemical Property:

• Vapor Pressure: 0.0±0.6 mmHg at 25°C
• Boiling Point: 288.0±25.0 °C at 760 mmHg
• Flash Point: 128.0±23.2 °C
• PSA: 40.86000
• Density: 1.3±0.1 g/cm3
• LogP: 1.50988
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

4-Fluoro-2-formylbenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-cyano-5-fluorobenzaldehyde

There total 6 articles about 2-cyano-5-fluorobenzaldehyde 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: 72.0%

2-(dibromomethyl)-4-fluorobenzonitrile (1485536-93-3) → 4-fluoro-2-formylbenzonitrile (894779-76-1)

Guidance literature:

With water; silver nitrate; In acetonitrile; for 0.333333h; Inert atmosphere; Reflux;

DOI:10.1021/ol402980v

Reference yield: 71.0%

2-bromo-4-fluorobenzonitrile (36282-26-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4-fluoro-2-formylbenzonitrile (894779-76-1)

Guidance literature:

2-bromo-4-fluorobenzonitrile; With isopropylmagnesium chloride; In tetrahydrofuran; at -30 ℃; for 3h;

N,N-dimethyl-formamide; In tetrahydrofuran; at -30 - 20 ℃;

With hydrogenchloride; In tetrahydrofuran; water; at -10 ℃; for 0.333333h;

Reference yield:

N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4-fluoro-2-formylbenzonitrile (894779-76-1)

Guidance literature:

2-bromo-4-fluorobenzonitrile; With isopropylmagnesium chloride; In tetrahydrofuran; at -30 ℃; for 3h;

N,N-dimethyl-formamide; In tetrahydrofuran; at 20 ℃; for 1h;

With hydrogenchloride; In tetrahydrofuran; water; at -10 ℃; for 0.333333h;

upstream raw materials:

N,N-dimethyl-formamide

2-bromo-4-fluorobenzonitrile

2-(dibromomethyl)-4-fluorobenzonitrile

2-bromo-5-fluorobenzaldehyde

Downstream raw materials:

5-{1-tert-butyl-2-[5-fluoro-2-(5-methyl-[1,2,4]oxadiazol-3-yl)phenyl]-1H-benzimidazol-5-yl}pyrimidin-2-ylamine

2-[5-(2-aminopyrimidin-5-yl)-1-tert-butyl-1H-benzimidazol-2-yl]-4-fluoro-N-hydroxybenzamidine

2-[5-(2-aminopyrimidin-5-yl)-1-tert-butyl-1H-benzimidazol-2-yl]-4-fluorobenzonitrile

ethyl (E)-3-(2-cyano-5-fluorophenyl)prop-2-enoate

Refernces

• 1、 Li, Xiao-Hui,Zheng, Bao-Hui,Ding, Chang-Hua,Hou, Xue-Long. "Enantioselective synthesis of 2,3-disubstituted indanones via Pd-catalyzed intramolecular asymmetric allylic alkylation of ketones". supporting information. p. 6086 - 6089. Retrieved 2014/01/06.
• 2、 -. "1,6 - SUBSTITUTED (3R,6R) -3- (2,3-DIHYDRO-1H-INDEN-2-YL)-2,5-PIPERAZINEDIONE DERIVATIVES AS OXYTOCIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PRE-TERM LABOUR, DYSMENORRHEA AND ENDOMETRIOSIS". Page/Page column 50. . Retrieved 2008/06/13.