1-Hexanol → HCID 9808590, compound

HRID 1416732Notes

Reaction equation

[Cl:1][C:2]1[CH:3]=[C:4]([CH:8]([OH:29])[CH2:9][NH:10][CH:11]([CH3:28])[CH2:12][C:13]2[CH:27]=[CH:26][C:16]3[O:17][C:18]([C:23]([OH:25])=[O:24])([C:20]([OH:22])=[O:21])[O:19][C:15]=3[CH:14]=2)[CH:5]=[CH:6][CH:7]=1.[CH2:30](O)[CH2:31][CH2:32][CH2:33][CH2:34][CH3:35]>>[CH2:30]([O:24][C:23]([C:18]1([C:20]([O:22][CH2:4][CH2:3][CH2:2][CH2:7][CH2:6][CH3:5])=[O:21])[O:17][C:16]2[CH:26]=[CH:27][C:13]([CH2:12][CH:11]([NH:10][CH2:9][CH:8]([C:4]3[CH:5]=[CH:6][CH:7]=[C:2]([Cl:1])[CH:3]=3)[OH:29])[CH3:28])=[CH:14][C:15]=2[O:19]1)=[O:25])[CH2:31][CH2:32][CH2:33][CH2:34][CH3:35].[O:17]([CH2:18][CH3:20])[CH2:16][CH3:15].[ClH:1]

Participants

Reactant 2

HCID 81031-Hexanol

HCID 42813555-{2-[2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-benzo[1,3]dioxole-2,2-dicarboxylic acid

Product 2

HCID 9808590HCID 9808590, compound

HCID 10953452Ether hydrochloride

Procedure

The title compound was prepared from 5-{2-[2-(3-chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-benzo[1,3]dioxole-2,2-dicarboxylic acid and 1-hexanol as a white solid according to the procedure of Example 1, leaving out the final HCl(g) /Et2O hydrochloride salt forming step: 1H NMR (300 MHz, CDCl3): δ 0.75-0.90 (m, 6H), 1.00-1.41 (brm, 15H), 1.47-1.85 (m, 6H), 2.60-3.50 (brm, 5H), 4.15-4.30 (m, 4H), 5.18-5.35 (brs, 1H), 6.67-6.82 (m, 3H), 7.15-7.45 (m, 4H); MS (ES) m/z (relative intensity):

Sources & evidence

ORD record: ord-a776e6132e764925857c6f1dbfa6152a
Source dataset: uspto-grants-1999_06
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US05914339

Reaction notes

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