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 |
|
~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 |
|
~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 |
|
~%
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%
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 | |
|---|---|
| DownStream 1 | |
| 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% |