5-chloro-1,3-dimethyl-1H-pyrazole-4-sulfonyl chloride → 5-Chloro-1,3-dimethyl-1H-pyrazole-4-sulfonic acid {3-[3-cyclopropylmethyl-1-(2-fluoro-benzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenyl}-amide

HRID 858045Notes

Reaction equation

HRID 858045 reaction equation
[NH2:1][C:2]1[CH:3]=[C:4]([CH:29]=[CH:30][CH:31]=1)[CH2:5][C:6]1[NH:14][C:13]2[C:12](=[O:15])[N:11]([CH2:16][C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=3[F:23])[C:10](=[O:24])[N:9]([CH2:25][CH:26]3[CH2:28][CH2:27]3)[C:8]=2[N:7]=1.[Cl:32][C:33]1[N:37]([CH3:38])[N:36]=[C:35]([CH3:39])[C:34]=1[S:40](Cl)(=[O:42])=[O:41]>>[CH:26]1([CH2:25][N:9]2[C:8]3[N:7]=[C:6]([CH2:5][C:4]4[CH:3]=[C:2]([NH:1][S:40]([C:34]5[C:35]([CH3:39])=[N:36][N:37]([CH3:38])[C:33]=5[Cl:32])(=[O:41])=[O:42])[CH:31]=[CH:30][CH:29]=4)[NH:14][C:13]=3[C:12](=[O:15])[N:11]([CH2:16][C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=3[F:23])[C:10]2=[O:24])[CH2:28][CH2:27]1

Participants

3

Reactant 2

HCID 27771265-chloro-1,3-dimethyl-1H-pyrazole-4-sulfonyl chlorideHCID 691151508-(3-Amino-benzyl)-3-cyclopropylmethyl-1-(2-fluoro-benzyl)-3,7-dihydro-purine-2,6-dione

Product 1

HCID 117584555-Chloro-1,3-dimethyl-1H-pyrazole-4-sulfonic acid {3-[3-cyclopropylmethyl-1-(2-fluoro-benzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenyl}-amide

Procedure

Prepared from 8-(3-amino-benzyl)-3-cyclopropylmethyl-1-(2-fluoro-benzyl)-3,7-dihydro-purine-2,6-dione and 5-chloro-1,3-dimethyl-1H-pyrazole-4-sulfonyl chloride. Light yellow solid; (ES)+-HRMS m/e calculated for C28H27ClFN7O4S (M+Na)+ 634.1411, found 634.1410.

Sources & evidence

ORD record
ord-f24c9cf1eb49462aab05299a8c95cf23
Source dataset
uspto-grants-2006_12
Patent number
US07148229B2

Reaction notes

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