cyanoacetaldehyde

Base Information

• Chemical Name: cyanoacetaldehyde
• CAS No.: 6162-76-1
• Molecular Formula: C3H3 N O
• Molecular Weight: 69.0629
• Mol file: 6162-76-1.mol

Synonyms:Acetaldehyde,cyano- (6CI,7CI); Malonaldehydonitrile (8CI); Cyanoacetaldehyde; a-Cyanoacetaldehyde

Chemical Property of cyanoacetaldehyde

Chemical Property:

• Vapor Pressure: 1.42E-12mmHg at 25°C
• Boiling Point: 560°C at 760 mmHg
• PKA: 10.58±0.10(Predicted)
• Flash Point: 292.5°C
• PSA: 40.86000
• Density: 1.275g/cm³
• LogP: 0.09898

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of cyanoacetaldehyde

There total 15 articles about cyanoacetaldehyde 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:

3,3-bis(ethyloxy)propanenitrile (2032-34-0) → cyanoacetaldehyde (6162-76-1)

Guidance literature:

With trifluoroacetic acid; In chloroform; water; for 15h;

DOI:10.1016/j.bmc.2004.03.048

Reference yield:

carbon monoxide (201230-82-2) + acetonitrile (75-05-8,26809-02-9) → cyanoacetaldehyde (6162-76-1)

Guidance literature:

With tert.-butylhydroperoxide; iron(III) chloride; at 120 ℃; for 10h; under 3800.26 - 7600.51 Torr;

Reference yield:

Methyl formate (107-31-3) + acetonitrile (75-05-8,26809-02-9) → cyanoacetaldehyde (6162-76-1)

Guidance literature:

With potassium 2-methylbutan-2-olate; In tetrahydrofuran; toluene; at 0 - 20 ℃; for 78h;

DOI:10.1016/j.bmcl.2018.10.020

upstream raw materials:

ISOXAZOLE

iodoacetic anhydride

silver(I) cyanide

trans-1,4-dicyano-2-butene

Downstream raw materials:

β-phenylaminoacrylonitrile

3-(4-nitro-phenylhydrazono)-propionitrile

α-cyano-β-dimethylaminoacrolein

Acetic acid 5-((E)-2-cyano-vinylamino)-4-iodo-2-methyl-phenyl ester

Refernces

• 1、 -. "Preparation method of cytosine intermediate 3,3-diethoxypropionitrile". Paragraph 0022; 0023. . Retrieved 2017/02/17.
• 2、 Hwang, Jong Yeon,Windisch, Marc Peter,Jo, Suyeon,Kim, Keumhyun,Kong, Sunju,Kim, Hyoung Cheul,Kim, Soohyun,Kim, Heeyoung,Lee, Myung Eun,Kim, Youngmi,Choi, Jihyun,Park, Dong-Sik,Park, Eunjung,Kwon, Jeongjin,Nam, Jiyoun,Ahn, Sujin,Cechetto, Jonathan,Kim, Junwon,Liuzzi, Michel,No, Zaesung,Lee, Jinhwa. "Discovery and characterization of a novel 7-aminopyrazolo[1,5-a]pyrimidine analog as a potent hepatitis C virus inhibitor". . p. 7297 - 7301. Retrieved 2013/02/23.