Ethyl 2-(4-cyanophenoxy)-2-methylpropanoate

Modify Date: 2024-04-02 12:02:07

Ethyl 2-(4-cyanophenoxy)-2-methylpropanoate Structure
Ethyl 2-(4-cyanophenoxy)-2-methylpropanoate structure
Common Name Ethyl 2-(4-cyanophenoxy)-2-methylpropanoate
CAS Number 18672-07-6 Molecular Weight 233.26300
Density 1.11g/cm3 Boiling Point 351ºC at 760 mmHg
Molecular Formula C13H15NO3 Melting Point N/A
MSDS N/A Flash Point 153.3ºC

 Names

Name Ethyl 2-(4-cyanophenoxy)-2-methylpropanoate

 Chemical & Physical Properties

Density 1.11g/cm3
Boiling Point 351ºC at 760 mmHg
Molecular Formula C13H15NO3
Molecular Weight 233.26300
Flash Point 153.3ºC
Exact Mass 233.10500
PSA 59.32000
LogP 2.27878
Vapour Pressure 4.24E-05mmHg at 25°C
Index of Refraction 1.513

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UA2458290
CHEMICAL NAME :
Propanoic acid, 2-(4-cyanophenoxy)-2-methyl-, ethyl ester
CAS REGISTRY NUMBER :
18672-07-6
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H15-N-O3
MOLECULAR WEIGHT :
233.29

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
APFRAD Annales Pharmaceutiques Francaises. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1943- Volume(issue)/page/year: 47,16,1989

 Synthetic Route

~99%

Ethyl 2-(4-cyanophenoxy)-2-methylpropanoate Structure

Ethyl 2-(4-cyan...

CAS#:18672-07-6

Literature: SMITHKLINE BEECHAM CORPORATION Patent: WO2005/49578 A1, 2005 ; Location in patent: Page/Page column 59 ; WO 2005/049578 A1

~96%

Ethyl 2-(4-cyanophenoxy)-2-methylpropanoate Structure

Ethyl 2-(4-cyan...

CAS#:18672-07-6

Literature: SMITHKLINE BEECHAM CORPORATION Patent: WO2005/37804 A1, 2005 ; Location in patent: Page/Page column 11 ; WO 2005/037804 A1

~49%

Ethyl 2-(4-cyanophenoxy)-2-methylpropanoate Structure

Ethyl 2-(4-cyan...

CAS#:18672-07-6

Literature: Chobanian, Harry R.; Fors, Brett P.; Lin, Linus S. Tetrahedron Letters, 2006 , vol. 47, # 19 p. 3303 - 3305

~%

Ethyl 2-(4-cyanophenoxy)-2-methylpropanoate Structure

Ethyl 2-(4-cyan...

CAS#:18672-07-6

Literature: Witiak; Ho; Hackney; Connor Journal of medicinal chemistry, 1968 , vol. 11, # 5 p. 1086 - 1089