Hydrochloric Acid → HCID 68707350, compound

HRID 2242872Notes

Reaction equation

HRID 2242872 reaction equation
C([O:5][C:6](=[O:31])[CH2:7][N:8]1[CH2:12][CH2:11][CH2:10][C@@H:9]1[CH2:13][O:14][C:15]1[CH:20]=[CH:19][C:18]([N:21]2[C:29]([Cl:30])=[C:28]3[C:23]([CH:24]=[CH:25][CH:26]=[CH:27]3)=[N:22]2)=[CH:17][CH:16]=1)(C)(C)C.Cl>O1CCOCC1>[ClH:30].[Cl:30][C:29]1[N:21]([C:18]2[CH:19]=[CH:20][C:15]([O:14][CH2:13][C@H:9]3[CH2:10][CH2:11][CH2:12][N:8]3[CH2:7][C:6]([OH:31])=[O:5])=[CH:16][CH:17]=2)[N:22]=[C:23]2[C:28]=1[CH:27]=[CH:26][CH:25]=[CH:24]2

Participants

4

Reactant 2

HCID 313Hydrochloric AcidHCID 68707286HCID 68707286, compound

Product 1

HCID 68707350HCID 68707350, compoundYield 145.7%

Reagents, catalysts & solvents 1

HCID 312751,4-DioxaneSolvent

Procedure

A mixture of the product of step 1 (0.4 g, 0.91 mmol) and HCl (4 M in dioxane, 2.3 mL, 9.1 mmol) in dioxane (5 mL)was stirred at room temperature for 16 h. After the solvent was removed, the residue was triturated with ether to provide the title compound (280 mg, 62%) as a hydrochloride salt. 1H NMR (400 MHz, DMSO) δ 7.71-7.66 (m, 4H), 7.40 (m, 1H), 7.22 (m, 3H), 4.4.50-4.27 (m, 4H), 4.04 (br, 1H), 3.70 (br, 2H), 2.28 (m, 1H), 2.04 (m, 2H), 1.98 (m, 1H), LC/MS (APCI) m/z: 94%.

Workup

  1. customAfter the solvent was removed
  2. customthe residue was triturated with ether

Sources & evidence

ORD record
ord-837a377bab9b4ce39a9ea4067bda18c2
Source dataset
uspto-grants-2010_03
Patent number
US07674802B2

Reaction notes

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