참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|
| 반응물 | Benzoyl isothiocyanate | HCID 68284 | — |
| 반응물 | 2-Cyclopropylaniline | HCID 76618 | — |
| 용매 | Acetone | HCID 180 | — |
| 생성물 | N-((2-cyclopropylphenyl)carbamothioyl)benzamide | HCID 86675803 | — |
반응 단계
To 2-cyclopropylaniline (498 mg, 3.74 mmol) in acetone (10 mL) was added benzoyl isothiocyanate (0.53 mL, 3.93 mmol) and the mixture was heated at 50° C. for 8 hours. The reaction mixture was concentrated to provide N-((2-cyclopropylphenyl)carbamothioyDbenzamide as a orange oil (1.249 g, 100%): 1H NMR (400 MHz, CDCl3) δ 12.59 (s, 1H), 9.14 (s, 1H), 8.07 (dd, J=7.8, 1.3 Hz, 1H), 7.92 (dd, J=8.4, 1.2 Hz, 2H), 7.69-7.63 (m, 1H), 7.59-7.52 (m, 2H), 7.31-7.26 (m, 1H), 7.23 (td, J=7.5, 1.5 Hz, 1H), 7.13 (dd, J=7.6, 1.5 Hz, 1H), 1.95 (qt, J=12.3, 4.4 Hz, 1H), 1.09-1.01 (m, 2H), 0.76-0.69 (m, 2H); 13C NMR (101 MHz, CDCl3) δ 178.70, 166.72, 137.59, 137.06, 133.71, 131.72, 129.22, 127.51, 127.20, 126.93, 126.12, 125.26, 11.72, 7.03; ESIMS m/z 295 ([M−H]−).
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| 특허 번호 | US09440964B2 |
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| 출처 데이터셋 | uspto-grants-2016_09 |
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| ORD ID | ord-e37213de9f374bf294c0ae4d536bc03d |
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| 출처 메모 | uspto-grants-2016_09 |
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