Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
4-Methyloxazole-5-carbonyl chloride → N-[6-Chloro-2,4,8,18,22-pentaazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-12-yl]-2-{1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]piperidin-4-yl}acetamide bis(trifluoroacetate)
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|---|---|---|
| 반응물 | 4-Methyloxazole-5-carbonyl chloride | HCID 2795217 | — |
| 반응물 | N-[6-chloro-2,4,8,18,22-pentaazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-12-yl]-2-piperidin-4-ylacetamide tris(trifluoroacetate) | HCID 86636131 | — |
| 생성물 | N-[6-Chloro-2,4,8,18,22-pentaazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-12-yl]-2-{1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]piperidin-4-yl}acetamide bis(trifluoroacetate) | HCID 86636180 | 37% |
반응 단계
The desired compound was prepared according to the procedure of Example A20, using N-[6-chloro-2,4,8,18,22-pentaazatetracyclo[14.3.1.1(3,7).1(9,13)]docosa-1(20),3(22),4,6,9(21),10,12,16,18-nonaen-12-yl]-2-piperidin-4-ylacetamide tris(trifluoroacetate) and 4-methyl-1,3-oxazole-5-carbonyl chloride as starting materials in 37% yield. 1H NMR (300 MHz, DMSO-d6): δ 10.02 (s, 1H), 9.41 (m, 2H), 9.02 (s, 1H), 8.40 (s, 1H), 8.30 (s, 2H), 8.20 (s, 1H), 7.65 (s, 1H), 7.30 (d, 1H), 7.05 (d, 1H), 4.52 (m, 2H), 3.12 (m, 1H), 2.98 (m, 4H), 2.32 (m, 2H), 2.21 (s, 3H), 2.12 (m, 1H), 1.80 (m, 2H), 1.20 (m, 2H). LCMS for C29H30ClN8O3 (M+H)+: m/z=573.2.
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| 특허 번호 | US08871753B2 |
| 출처 데이터셋 | uspto-grants-2014_10 |
| ORD ID | ord-a2511314ad2f4355920a1bce2300732f |
| 출처 메모 | uspto-grants-2014_10 |