Hydrochloric Acid → HCID 44427825, 화합물

HRID 404576

반응식

HRID 404576 반응식
Cl.[N:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[CH:16]=[CH:15][C:11]([C:12]([OH:14])=O)=[CH:10][CH:9]=1.[CH3:17][O:18][C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=1[N:25]1[CH2:30][CH2:29][N:28]([CH2:31]/[CH:32]=[CH:33]/[CH2:34][NH2:35])[CH2:27][CH2:26]1.Cl>>[CH3:17][O:18][C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=1[N:25]1[CH2:26][CH2:27][N:28]([CH2:31]/[CH:32]=[CH:33]/[CH2:34][NH:35][C:12](=[O:14])[C:11]2[CH:10]=[CH:9][C:8]([C:3]3[CH:4]=[CH:5][CH:6]=[CH:7][N:2]=3)=[CH:16][CH:15]=2)[CH2:29][CH2:30]1

참가 물질

4

반응물 3

HCID 313Hydrochloric AcidHCID 19917461Trans-4-[4-(2-methyloxyphenyl)piperazinyl]-2-buten-1-yl-amineHCID 68499643222986-74-5

생성물 1

HCID 44427825HCID 44427825, 화합물수율 65%

실험 절차

Prepared from 4-pyridin-2-yl-benzoic acid hydrochloride and 4-(4-(2-methoxyphenyl)-piperazin-1-yl)-trans-but-2-enyl amine according to the general procedure. Yield: 65%. Mp. (hydrochloride): 168-170° C. 1H NMR (400 MHz, CDCl3): δ 2.70 (s, 4H), 3.12 (s, 6H), 3.86 (s, 3H), 4.13 (m, 2H), 5.78-5.85 (m, 2H), 6.43 (m, 1H), 6.85-7.02 (m, 4H), 7.27 (s, 2H), 7.77 (s, 2H), 7.90 (d, J 7.5, 2H), 8.06 (d, J 8.1, 2H), 8.72 (d, J 3.1, 1H). 13C NMR (101 MHz, CDCl3): δ 41.0, 50.9, 53.7, 55.8, 60.7, 111.6, 118.7, 121.3, 121.4, 123.2, 123.5, 127.5, 127.9, 129.1, 130.5, 135.0, 137.4, 141.6, 142.7, 150.3, 152.7, 156.7, 167.4. Anal. (O27H30N4O2.3HCl.4H2O) C, H, N.

후처리

  1. custom168-170° C

출처 및 근거

ORD 기록
ord-3631c5a9f74d4d3bbad614af4d4c8536
출처 데이터셋
uspto-grants-2014_06
특허 번호
US08748608B2

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