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

Benzoic Acid → 2-cyano-2-(5,6-dimethoxy-3,3-dimethyl-indan-1-ylidene)-N-prop-2-ynyl-acetamide

HRID 2228349
노트
인쇄 미리보기

반응식

HRID 2228349 반응식
C([O:3][C:4](=O)[C:5]([C:21]#[N:22])=[C:6]1[C:14]2[C:9](=[CH:10][C:11]([O:17][CH3:18])=[C:12]([O:15][CH3:16])[CH:13]=2)[C:8]([CH3:20])([CH3:19])[CH2:7]1)C.[C:24]([CH2:26][C:27](NCC#C)=O)#[N:25].N1CCCC1.C(O)(=O)C1C=CC=CC=1>C1(C)C=CC=CC=1.O>[C:21]([C:5](=[C:6]1[C:14]2[C:9](=[CH:10][C:11]([O:17][CH3:18])=[C:12]([O:15][CH3:16])[CH:13]=2)[C:8]([CH3:20])([CH3:19])[CH2:7]1)[C:4]([NH:25][CH2:24][C:26]#[CH:27])=[O:3])#[N:22]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 243Benzoic AcidHCID 31268PyrrolidineHCID 184695792-cyano-N-(prop-2-yn-1-yl)acetamideHCID 54568492Cyano-(2,3-dihydro-5,6-dimethoxy-3,3-dimethyl-1H-inden-1-ylidene)acetic Acid Ethyl Ester

생성물 1

HCID 537630542-cyano-2-(5,6-dimethoxy-3,3-dimethyl-indan-1-ylidene)-N-prop-2-ynyl-acetamide수율 49.9%

시약·촉매·용매 2

HCID 962Water용매2회
HCID 1140Toluene용매

실험 절차

A 50 ml reaction flask equipped with a water separator and a reflux condenser was charged with 2.2 g of 2,3-dihydro-5,6-dimethoxy-3,3-dimethyl-1H-inden-1-one (see Example 1), 1.2 g of 2-cyano-N-prop-2-ynyl-acetamide (see above), catalytic amounts of pyrrolidine, and benzoic acid in 20 ml of toluene. The reaction mixture was refluxed for 24 hours with simultaneous separation of water. Then, the product in the cold reaction mixture was filtered off and recrystallized in ethylacetate to yield 1.13 g of white crystals, m.p. 202° C.-205° C. UV 362 nm (ε=24′992). Solubility: 0.04% in CÉTIOL LC

후처리

  1. customA 50 ml reaction flask
  2. customThen, the product in the cold reaction mixture
  3. filtrationwas filtered off
  4. customrecrystallized in ethylacetate

출처 및 근거

ORD 기록
ord-977eda4c26f94a08a72c5bb4fee4b043
출처 데이터셋
uspto-grants-2002_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06416746B1

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트