methyl 3-(2-cyanopropan-2-yl)benzoate

Modify Date: 2024-01-17 14:54:13

methyl 3-(2-cyanopropan-2-yl)benzoate Structure
methyl 3-(2-cyanopropan-2-yl)benzoate structure
Common Name methyl 3-(2-cyanopropan-2-yl)benzoate
CAS Number 872091-85-5 Molecular Weight 203.23700
Density N/A Boiling Point N/A
Molecular Formula C12H13NO2 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name methyl 3-(2-cyanopropan-2-yl)benzoate
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C12H13NO2
Molecular Weight 203.23700
Exact Mass 203.09500
PSA 50.09000
LogP 2.27438

 Safety Information

Hazard Codes Xi
HS Code 2926909090

 Synthetic Route

~77%

methyl 3-(2-cyanopropan-2-yl)benzoate Structure

methyl 3-(2-cya...

CAS#:872091-85-5

Literature: Okaniwa, Masanori; Hirose, Masaaki; Imada, Takashi; Ohashi, Tomohiro; Hayashi, Youko; Miyazaki, Tohru; Arita, Takeo; Yabuki, Masato; Kakoi, Kazuyo; Kato, Juran; Takagi, Terufumi; Kawamoto, Tomohiro; Yao, Shuhei; Sumita, Akihiko; Tsutsumi, Shunichirou; Tottori, Tsuneaki; Oki, Hideyuki; Sang, Bi-Ching; Yano, Jason; Aertgeerts, Kathleen; Yoshida, Sei; Ishikawa, Tomoyasu Journal of Medicinal Chemistry, 2012 , vol. 55, # 7 p. 3452 - 3478

~67%

methyl 3-(2-cyanopropan-2-yl)benzoate Structure

methyl 3-(2-cya...

CAS#:872091-85-5

Literature: ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2007/113557 A1, 2007 ; Location in patent: Page/Page column 27 ; WO 2007/113557 A1

~%

methyl 3-(2-cyanopropan-2-yl)benzoate Structure

methyl 3-(2-cya...

CAS#:872091-85-5

Literature: Galemmo, JR., Robert; Holland, Richard; Hum, Gabriel; Pajouhesh, Hossein; Chahal, Navjot; Seid-Bagherzadeh, Mehran; Girard, Amy Patent: US2009/270394 A1, 2009 ; Location in patent: Page/Page column 12 ; US 20090270394 A1

~67%

methyl 3-(2-cyanopropan-2-yl)benzoate Structure

methyl 3-(2-cya...

CAS#:872091-85-5

Literature: ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2006/40568 A1, 2006 ; Location in patent: Page/Page column 65-66 ; WO 2006/040568 A1

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

methyl 3-(1-cyano-1-methylethyl)benzoate
3-(1-cyano-1-methylethyl)benzoic acid methyl ester
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