4-Formylbenzoyl chloride → HCID 58415376, compound

HRID 2075251Notes

Reaction equation

HRID 2075251 reaction equation
[CH2:1]([C:8]1[CH:9]=[CH:10][C:11]2[O:15][C:14]([C:16]3[CH:21]=[CH:20][C:19]([CH2:22][N:23]4[CH2:26][CH:25]([C:27]([OH:29])=[O:28])[CH2:24]4)=[CH:18][C:17]=3F)=[N:13][C:12]=2[CH:31]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(C1C=CC(C(Cl)=O)=CC=1)=O>>[CH2:1]([C:8]1[CH:9]=[CH:10][C:11]2[O:15][C:14]([C:16]3[CH:21]=[CH:20][C:19]([CH2:22][N:23]4[CH2:24][CH:25]([C:27]([OH:29])=[O:28])[CH2:26]4)=[CH:18][CH:17]=3)=[N:13][C:12]=2[CH:31]=1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1

Participants

3

Reactant 2

HCID 124246204-Formylbenzoyl chlorideHCID 53322715HCID 53322715, compound

Product 1

HCID 58415376HCID 58415376, compound

Procedure

Synthesized in a manner analogous to 1-((4-(5-benzylbenzo[d]oxazol-2-yl)-3-fluorophenyl)methyl)azetidine-3-carboxylic acid, except employing 4-formylbenzoyl chloride. white solid [hS1P1 EC50=364 nM]. 1H NMR (400 MHz, DMSO-d6) δ ppm 8.12 (d, J=8.0 Hz, 2H), 7.61-7.72 (m, 2H), 7.49 (d, J=8.0 Hz, 2H), 7.25-7.35 (m, 5H), 7.15-7.24 (m, 1H), 4.08 (s, 2H), 3.64 (s, 2H), 3.19-3.48 (m, 5H). MS (ESI) m/z: Calculated: 398.2; Observed: 399.2 (M++1).

Sources & evidence

ORD record
ord-0970d1975a9e486ebf27e1dfef9a7ca6
Source dataset
uspto-grants-2011_04
Patent number
US07919519B2

Reaction notes

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