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

Ethanol hydrochloride → 6-Cyclopentadienyl-2-cyclopropyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-1,3-benzoxazole-4-carbonitrile

HRID 17594
노트
인쇄 미리보기

반응식

HRID 17594 반응식
[CH:1]1([C:4]2[O:5][C:6]3[C:7](=[C:9]([C:28]#[N:29])[C:10]([CH3:27])=[C:11]([C:21]4[CH2:25][CH2:24][CH:23](O)[CH:22]=4)[C:12]=3[N:13]3[CH2:17][CH2:16][C@H:15]([N:18]([CH3:20])[CH3:19])[CH2:14]3)[N:8]=2)[CH2:3][CH2:2]1.Cl.C(O)C>C(O)C.C(OCC)C>[CH:21]1([C:11]2[C:12]([N:13]3[CH2:17][CH2:16][C@H:15]([N:18]([CH3:19])[CH3:20])[CH2:14]3)=[C:6]3[O:5][C:4]([CH:1]4[CH2:2][CH2:3]4)=[N:8][C:7]3=[C:9]([C:28]#[N:29])[C:10]=2[CH3:27])[CH:25]=[CH:24][CH:23]=[CH:22]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 2

HCID 21887872Ethanol hydrochlorideHCID 685868812-Cyclopropyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-6-(3-hydroxycyclopent-1-enyl)-5-methyl-1,3-benzoxazole-4-carbonitrile

생성물 1

HCID 1317281866-Cyclopentadienyl-2-cyclopropyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-1,3-benzoxazole-4-carbonitrile수율 78,839.703%

시약·촉매·용매 2

HCID 702Ethanol용매
HCID 3283
Diethyl Ether
용매

실험 절차

2-Cyclopropyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-6-(3-hydroxycyclopent-1-enyl)-5-methyl-1,3-benzoxazole-4-carbonitrile (I-306) (83 mg, 0.21 mmol) was dissolved in ethanol (0.85 ml) and diethyl ether (1.7 ml), and at room temperature, 1 M hydrochloric acid/ethanol solution (222 μl, 0.22 mmol) was added. After stirring at the same temperature for 4 hours, the solvent was evaporated away under reduced pressure. Ether was added to the residue, and this was concentrated under reduced pressure. This operation was repeated once again. Ether was added to the residue, followed by sonication, and the solvent was removed with a pipette. The residue was dried at 60° C. under reduced pressure for 2 hours to obtain the entitled compound (62 g, 65%) as a brown solid.

후처리

  1. customthe solvent was evaporated away under reduced pressure
  2. additionEther was added to the residue
  3. concentrationthis was concentrated under reduced pressure
  4. additionEther was added to the residue
  5. customfollowed by sonication
  6. customthe solvent was removed with a pipette
  7. customThe residue was dried at 60° C. under reduced pressure for 2 hours

출처 및 근거

ORD 기록
ord-86b2c1cb486d4551bdda45bf80d26985
출처 데이터셋
uspto-grants-2010_06
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07737166B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트