HCID 86732384, compound → HCID 86732386, compound

HRID 517262Notes

Reaction equation

HRID 517262 reaction equation
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([CH:9]2[C:18]3[C:17](=[O:19])[CH2:16][CH2:15][CH2:14][C:13]=3[N:12]([C:20]3[CH:25]=[CH:24][CH:23]=[C:22]([C:26]([F:29])([F:28])[F:27])[CH:21]=3)[C:11](=[O:30])[N:10]2[S:31]([CH2:34][CH2:35][CH2:36][C:37]([OH:39])=[O:38])(=[O:33])=[O:32])=[CH:5][CH:4]=1)#[N:2].C(C1C=CC(C2C(C#N)=C(C3C4C(=O)CCCC=4N(C4C=CC=C(C(F)(F)F)C=4)C(=O)N3[S:76]([C:79]3C=C(C(OC)=O)SC=3)(=O)=O)C=CC=2)=CC=1)#N>>[C:1]([C:3]1[CH:8]=[CH:7][C:6]([CH:9]2[C:18]3[C:17](=[O:19])[CH2:16][CH2:15][CH2:14][C:13]=3[N:12]([C:20]3[CH:25]=[CH:24][CH:23]=[C:22]([C:26]([F:27])([F:29])[F:28])[CH:21]=3)[C:11](=[O:30])[N:10]2[S:31]([C:34]2[CH:35]=[C:36]([C:37]([OH:39])=[O:38])[S:76][CH:79]=2)(=[O:32])=[O:33])=[CH:5][CH:4]=1)#[N:2]

Participants

3

Reactant 2

HCID 86732384HCID 86732384, compoundHCID 86732387HCID 86732387, compound

Product 1

HCID 86732386HCID 86732386, compound

Procedure

The title compound is prepared in analogy to 4-(4-(4-cyanophenyl)-2,5-dioxo-1-(3-(tri-fluoromethyl)phenyl)-1,2,5,6,7,8-hexahydroquinazolin-3(4H)-ylsulfonyl)butanoic acid example 45), using methyl 4-(4-(4-cyanophenyl)-2,5-dioxo-1-(3-(trifluoromethyl)phenyl)-1,2,5,6,7,8-hexahydroquinazolin-3(4H)-ylsulfonyl)thiophene-2-carboxylate (example 44, 22 mg, 36 μmol) as starting material. Yield: 9 mg; ESI mass spectrum [M+H]+=602; Retention time HPLC: 0.94 min (Z018_S04).

Workup

  1. custom0.94 min (Z018_S04)

Sources & evidence

ORD record
ord-0cdb463a220547c38e40663a61e7d172
Source dataset
uspto-grants-2015_08
Patent number
US09115093B2

Reaction notes

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