Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Hydrochloric Acid → 3-Cyano-4-isobutylbenzoic acid
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|---|---|---|
| 반응물 | Hydrochloric Acid | HCID 313 | — |
| 반응물 | Sodium Hydroxide | HCID 14798 | — |
| 반응물 | Methyl 3-cyano-4-isobutylbenzoate | HCID 59316752 | — |
| 용매 | Ethanol | HCID 702 | — |
| 생성물 | 3-Cyano-4-isobutylbenzoic acid | HCID 22228175 | 93.2% |
반응 단계
Methyl 3-cyano-4-(2-methylpropyl)benzoate (D31) (233 mg, 1.072 mmol) was dissolved in ethanol (4 ml) and 2M aqueous sodium hydroxide (1 ml, 2 mmol) was added. The reaction was stirred for 1 h. 2M aqueous HCl (10 mL) was added and the mixture extracted with dichloromethane (20 mL+10 mL). The organic phases were isolated and dried by phase separator and combined before the solvent was removed in vacuo to give the title compound as a white solid (203 mg, 0.999 mmol). δH (d6-DMSO, 400 MHz) 13.43 (1H, br. s), 8.29 (1H, d), 8.14 (1H, dd), 7.59 (1H, d), 2.74 (2H, d), 1.96 (1H, m), 0.91 (6H, d). MS (ES): C12H13NO2 requires 203; found 202 (M−H+).
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| 특허 번호 | US08101775B2 |
| 출처 데이터셋 | uspto-grants-2012_01 |
| ORD ID | ord-36cfbfe20b674cff85df2d5af6e15076 |
| 출처 메모 | uspto-grants-2012_01 |