Benzyl Bromide → HCID 9982031, compound

HRID 858139Notes

Reaction equation

[CH2:1]([N:5]1[C:13]2[N:12]=[C:11]([CH2:14][C:15]3[CH:20]=[CH:19][C:18](NS(C4C(C)=NN(C)C=4Cl)(=O)=O)=[CH:17][CH:16]=3)[NH:10][C:9]=2[C:8](=[O:33])[N:7]([CH2:34][C:35]2[CH:40]=[CH:39][CH:38]=[CH:37][C:36]=2F)[C:6]1=[O:42])[CH2:2][CH2:3][CH3:4].C(Br)C1C=CC=CC=1.NCCC1C=CC([S:60]([NH2:63])(=[O:62])=[O:61])=CC=1>>[CH2:34]([N:7]1[C:8](=[O:33])[C:9]2[NH:10][C:11]([CH2:14][C:15]3[CH:20]=[CH:19][C:18]([S:60]([NH2:63])(=[O:62])=[O:61])=[CH:17][CH:16]=3)=[N:12][C:13]=2[N:5]([CH2:1][CH2:2][CH2:3][CH3:4])[C:6]1=[O:42])[C:35]1[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=1

Participants

Reactant 3

HCID 7498Benzyl Bromide

HCID 1696824-(2-Aminoethyl)benzenesulfonamide

HCID 10438766N-(4-((1-(2-fluorobenzyl)-3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)phenyl)-5-chloro-1,3-dimethyl-1H-pyrazole-4-sulfonamide

Product 1

HCID 9982031HCID 9982031, compound

Procedure

Prepared by the same method as described for 5-chloro-1,3-dimethyl-1H-pyrazole-4-sulfonic acid {4-[3-butyl-1-(2-fluoro-benzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenyl}-amide (example 34) except that in step 2 benzyl bromide was used in place of 2-fluorobenzyl bromide and in step 3 4-(2-amino-ethyl)-benzenesulfonamide was used in place of 2-(4-nitro-phenyl)-ethylamine hydrochloride salt. 4-(1-Benzyl-3-butyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl)-benzenesulfonamide was obtained as a colorless solid; LRMS for C23H25N5O4S (M+H)+ at m/z=468.27.

Workup

customPrepared by the same method

Sources & evidence

ORD record: ord-3c83189eec35467ebb6e3e4ecde50e46
Source dataset: uspto-grants-2006_12
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US07148229B2

Reaction notes

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