Hydrochloric Acid → HCID 67589228, compound

HRID 1416728Notes

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

Participants

Reactant 3

HCID 313Hydrochloric Acid

HCID 7966Cyclohexanol

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

Product 1

HCID 67589228HCID 67589228, compound

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 cyclohexanol according to the procedure of Example 1 as a yellow gum: 1H NMR (300 MHz, CDCl3): δ 1.10-1.40 (complex m, 7H), 1.45-1.60 (brm, 4H), 1.63-1.81 (brm, 8H), 1.82-1.95 (brm, 4H), 2.72-2.90 (brm, 1H), 3.10-3.30 (brm, 2H), 3.37-3.55 (m, 2H), 4.90-5.03 (m, 2H), 5.37-5.52 (brs, 1H), 6.71-6.90 (complex m, 4H), 7.20-7.32 (m, 2H), 7.44 (s, 1H), 8.55-8.80 (brs, 1H), 9.90-10.20 (brs, 1H); MS (ES) m/z (relative intensity): 585 (M+ -HCl), 532 (10).

Sources & evidence

ORD record: ord-b696b041b2114a3baf36329483179553
Source dataset: uspto-grants-1999_06
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US05914339

Reaction notes

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