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

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide → Tert-butyl [2-[(4-{[(acetylamino)methyl]-2-anilino-2-oxoethyl}benzoyl)amino]-4-(3-thienyl)phenyl]carbamate

HRID 1919907
노트
인쇄 미리보기

반응식

HRID 1919907 반응식
[C:1]([NH:4][CH2:5][CH:6]([C:16]1[CH:24]=[CH:23][C:19]([C:20](O)=[O:21])=[CH:18][CH:17]=1)[C:7]([NH:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1)=[O:8])(=[O:3])[CH3:2].CCN=C=NCCCN(C)C.C1C=CC2N(O)N=NC=2C=1.[NH2:46][C:47]1[CH:52]=[C:51]([C:53]2[CH:57]=[CH:56][S:55][CH:54]=2)[CH:50]=[CH:49][C:48]=1[NH:58][C:59](=[O:65])[O:60][C:61]([CH3:64])([CH3:63])[CH3:62]>CN(C=O)C.O>[C:61]([O:60][C:59](=[O:65])[NH:58][C:48]1[CH:49]=[CH:50][C:51]([C:53]2[CH:57]=[CH:56][S:55][CH:54]=2)=[CH:52][C:47]=1[NH:46][C:20](=[O:21])[C:19]1[CH:23]=[CH:24][C:16]([CH:6]([CH2:5][NH:4][C:1](=[O:3])[CH3:2])[C:7]([NH:9][C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)=[O:8])=[CH:17][CH:18]=1)([CH3:62])([CH3:64])[CH3:63]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 576119504-{1-[(Acetylamino)methyl]-2-anilino-2-oxoethyl}benzoic acidHCID 57717476Tert-butyl [2-amino-4-(3-thienyl)phenyl]carbamate

생성물 1

HCID 57611920Tert-butyl [2-[(4-{[(acetylamino)methyl]-2-anilino-2-oxoethyl}benzoyl)amino]-4-(3-thienyl)phenyl]carbamate

시약·촉매·용매 2

HCID 962Water용매HCID 6228Dimethylformamide용매

실험 절차

4-{1-[(Acetylamino)methyl]-2-anilino-2-oxoethyl}benzoic acid (232 mg, 0.71 mmol), EDCI (176 mg, 0.92 mmol), and HOBT (124 mg, 0.92 mmol) were combined in DMF (8 mL) and stirred for 10 minutes before adding tert-butyl [2-amino-4-(3-thienyl)phenyl]carbamate (227 mg, 0.78 mmol). The reaction was then stirred at 60° C. for 24 h. The solution was cooled to room temperature, poured into water (40 mL), and filtered to collect an orange solid. The crude solid was dissolved in CH2Cl2 (25 mL) and hexanes (20 mL), concentrated to half volume, and filtered to give tert-butyl[2-[(4-{1-[(acetylamino)methyl]-2-anilino-2-oxoethyl}benzoyl)amino]-4-(3-thienyl)phenyl]carbamate as a white solid. MS (ESI) calcd [M+H]+ 599.2, found 599.1.

후처리

  1. stirringThe reaction was then stirred at 60° C. for 24 h
  2. filtrationfiltered
  3. customto collect an orange solid
  4. dissolutionThe crude solid was dissolved in CH2Cl2 (25 mL)
  5. concentrationhexanes (20 mL), concentrated to half volume
  6. filtrationfiltered

출처 및 근거

ORD 기록
ord-c88622abd959497089a0f396c0cc12eb
출처 데이터셋
uspto-grants-2012_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08168658B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트