홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /반응

Hydrochloric Acid → 4-[4-(4-Methanesulfonyl-phenoxymethyl)-thiazol-2-yl]-piperidine-1-carboxylic acid isopropyl ester

HRID 1408325
노트
인쇄 미리보기

반응식

HRID 1408325 반응식
Cl.[CH3:2][S:3]([C:6]1[CH:24]=[CH:23][C:9]([O:10][CH2:11][C:12]2[N:13]=[C:14]([CH:17]3[CH2:22][CH2:21][NH:20][CH2:19][CH2:18]3)[S:15][CH:16]=2)=[CH:8][CH:7]=1)(=[O:5])=[O:4].C1COCC1.Cl[C:31]([O:33][CH:34]([CH3:36])[CH3:35])=[O:32]>CCN(CC)CC>[CH:34]([O:33][C:31]([N:20]1[CH2:21][CH2:22][CH:17]([C:14]2[S:15][CH:16]=[C:12]([CH2:11][O:10][C:9]3[CH:8]=[CH:7][C:6]([S:3]([CH3:2])(=[O:4])=[O:5])=[CH:24][CH:23]=3)[N:13]=2)[CH2:18][CH2:19]1)=[O:32])([CH3:36])[CH3:35]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 313Hydrochloric Acid2회HCID 7917Isopropyl chloroformateHCID 8028TetrahydrofuranHCID 579868424-[4-(4-Methanesulfonyl-phenoxymethyl)-thiazol-2-yl]-piperidine

생성물 1

HCID 250247204-[4-(4-Methanesulfonyl-phenoxymethyl)-thiazol-2-yl]-piperidine-1-carboxylic acid isopropyl ester

시약·촉매·용매 1

HCID 8471
Triethylamine
용매

실험 절차

To the HCl salt (Intermediate 3, 43 mg, ˜0.12 mmol) of 4-[4-(4-Methanesulfonyl-phenoxymethyl)-thiazol-2-yl]-piperidine was added 3 mL of THF, followed by isopropyl chloroformate (1.0 M solution in toluene, 0.15 mL, 0.15 mmol) and Et3N (0.05 mL). The resulting mixture was stirred at room temperature for 2 hours, and then partitioned between EtOAc and H2O. After concentration of the organic layer in vacuo, the residue was purified by silica gel column chromatography with EtOAc/hexanes (40-70%) to give the desired product. 1H NMR (CDCl3): δ 7.86 (2H, d, J=9.0 Hz), 7.23 (1H, s), 7.11 (2H, d, J=9.0 Hz), 5.22 (2H, s), 4.92 (1H, m), 4.24 (2H, m), 3.17 (1H, m), 3.03 (3H, s), 2.90 (2H, m), 2.10 (2H, m), 1.72 (2H, m), 1.23 (6H, d, J=6.4 Hz).

후처리

  1. custompartitioned between EtOAc and H2O
  2. customAfter concentration of the organic layer in vacuo, the residue was purified by silica gel column chromatography with EtOAc/hexanes (40-70%)

출처 및 근거

ORD 기록
ord-66f50f496e164aec8159e8c9a8722add
출처 데이터셋
uspto-grants-2014_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08921350B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트