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

Iodoacetamide → (S)-2-((S)-2-(2-iodoacetamido)-3-methylbutanamido)propanoic acid

HRID 594195
노트
인쇄 미리보기

반응식

HRID 594195 반응식
[NH2:1][C@@H:2]([CH:15]([CH3:17])[CH3:16])[C:3]([NH:5][C@@H:6]([CH3:14])[C:7]([O:9]C(C)(C)C)=[O:8])=[O:4].[I:18][CH2:19][C:20](N)=[O:21].NC1C=CC=CC=1C1C[C@@H]2N(C=1)C(=O)C1C=C(OC)C(OCCCOC3C(OC)=CC4C(=O)N5C=C(C6C=CC(OC)=CC=6)C[C@H]5C(=O)N(COCC[Si](C)(C)C)C=4C=3)=CC=1N(COCC[Si](C)(C)C)C2=O>ClCCl>[I:18][CH2:19][C:20]([NH:1][C@@H:2]([CH:15]([CH3:16])[CH3:17])[C:3]([NH:5][C@@H:6]([CH3:14])[C:7]([OH:9])=[O:8])=[O:4])=[O:21]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

5

반응물 3

HCID 3727IodoacetamideHCID 86676192(S)-2-(2-aminophenyl)-7-methoxy-8-(3-(((S)-7-methoxy-2-(4-methoxyphenyl)-5,11-dioxo-10((2-(trimethylsilyl)ethoxy)methyl)-5,10,11,11a-tetrahydro-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl)oxy)propoxy)-10-((2-(trimethylsilyl)ethoxy)methyl)-pyrrolo[2,1-c][1,4]-benzodiazepine-5,11(10H,11aH)-dioneHCID 86676194tert-butyl (2S)-2-[(2S)-2-amino-3-methylbutanamido]propanoate

생성물 1

HCID 86676195
(S)-2-((S)-2-(2-iodoacetamido)-3-methylbutanamido)propanoic acid

시약·촉매·용매 1

HCID 6344Dichloromethane용매

실험 절차

To a mixture of the 97 (100 mg, 0.41 mmol) in dichloromethane was added iodoacetamide-NHS ester (103) (115 mg, 0.41 mmol) and the mixture was stirred at an ambient temperature. After 30 min, the mixture was aspirated onto a 1 mm chromototron plate and eluted with ethyl acetate in hexanes (1:1). A single band was collected and the structure was confirmed: 1H-NMR (400 MHz, CDCl3) δ 6.70 (d, J=7.8 Hz, 1H), 6.27 (d, J=7.0 Hz, 1H), 4.45 (m, 1H), 4.26 (dd, J=8.6, 6.3 Hz, 1H), 3.72 (quart, J=11.3 Hz, 2H), 2.13 (sept, J=6.5 Hz, 1H), 1.47 (s, 9H), 1.38 (d, J=7.1 Hz, 3H), 0.99 (m, 6H); MS (ES+) m/z 412.87 [M+H]+.

후처리

  1. washeluted with ethyl acetate in hexanes (1:1)
  2. customA single band was collected

출처 및 근거

ORD 기록
ord-acf4557a8c8143bdac3c063c2bf87aa2
출처 데이터셋
uspto-grants-2016_01
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09242013B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트