872091-85-5

872091-85-5 structure

Name: methyl 3-(2-cyanopropan-2-yl)benzoate
Chemical Name: methyl 3-(2-cyanopropan-2-yl)benzoate
CAS Number: 872091-85-5
Molecular Formula: C₁₂H₁₃NO₂
Molecular Weight: 203.23700
Create Date: 2018-12-28 05:20:13
Modify Date: 2024-01-17 14:54:13

Name	methyl 3-(2-cyanopropan-2-yl)benzoate
Synonyms	methyl 3-(1-cyano-1-methylethyl)benzoate 3-(1-cyano-1-methylethyl)benzoic acid methyl ester

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

Hazard Codes	Xi
HS Code	2926909090

68432-92-8

74-88-4

~77%

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

74-88-4

~67%

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

146257-39-8

74-88-4

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

68432-92-8

~67%

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

Precursor 3
68432-92-8 74-88-4 146257-39-8
DownStream 1
872091-00-4

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%

872091-85-5	120512-42-7
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