Diethyl (1-cyano-3-methylbutyl)malonate

Modify Date: 2024-01-10 12:46:50

Diethyl (1-cyano-3-methylbutyl)malonate Structure
Diethyl (1-cyano-3-methylbutyl)malonate structure
Common Name Diethyl (1-cyano-3-methylbutyl)malonate
CAS Number 186038-82-4 Molecular Weight 255.31000
Density 1.044g/cm3 Boiling Point 355.712ºC at 760 mmHg
Molecular Formula C13H21NO4 Melting Point N/A
MSDS N/A Flash Point 155.412ºC

 Names

Name diethyl 2-(1-cyano-3-methylbutyl)propanedioate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.044g/cm3
Boiling Point 355.712ºC at 760 mmHg
Molecular Formula C13H21NO4
Molecular Weight 255.31000
Flash Point 155.412ºC
Exact Mass 255.14700
PSA 76.39000
LogP 1.91468
Vapour Pressure 0mmHg at 25°C
Index of Refraction 1.449

 Synthetic Route

~99%

Diethyl (1-cyano-3-methylbutyl)malonate Structure

Diethyl (1-cyan...

CAS#:186038-82-4

Literature: Hu, Shanghui; Martinez, Carlos Alberto; Tao, Junhua; Tully, William Eugene; Kelleher, Patrick; Dumond, Yves Patent: US2005/283023 A1, 2005 ; Location in patent: Page/Page column 18 ;

~96%

Diethyl (1-cyano-3-methylbutyl)malonate Structure

Diethyl (1-cyan...

CAS#:186038-82-4

Literature: CADILA HEALTHCARE LIMITED Patent: WO2008/62460 A2, 2008 ; Location in patent: Page/Page column 18-20 ;

~%

Diethyl (1-cyano-3-methylbutyl)malonate Structure

Diethyl (1-cyan...

CAS#:186038-82-4

Literature: PFIZER IRELAND PHARMACEUTICALS; DAVIES, Benjamin, Simon; GUZMAN, Mark, M.; MARTINEZ, Carlos, A.; McDAID, Paul, Oliver; O'NEILL, Padraig, Mary; SHANMUGAM, Elango Patent: WO2010/70593 A2, 2010 ; Location in patent: Page/Page column 28-32 ;

~%

Diethyl (1-cyano-3-methylbutyl)malonate Structure

Diethyl (1-cyan...

CAS#:186038-82-4

Literature: Wang, Jun; Li, Wei; Liu, Yanling; Chu, Yangyang; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming Organic Letters, 2010 , vol. 12, # 6 p. 1280 - 1283

 Synonyms

2-ethoxycarbonyl-3-cyano-5-methylhexanoic acid ethyl ester
QC-8850
2-carboxyethyl-3-cyano-5-methylhexanoic acid ethyl ester
2-carbethoxy-3-cyano-5-methylhexanoic acid ethyl ester
Diethyl (1-cyano-3-methylbutyl)malonate
1-cyano-3-Methylbutyl-Propanedioic acid diethyl ester
Diethyl (1-cyano-3-methylbutyl)malonate