4-(Methylthio)benzoic acid → HCID 21922905, compound

HRID 1244963Notes

Reaction equation

HRID 1244963 reaction equation
[CH3:1][S:2][C:3]1[CH:11]=[CH:10][C:6]([C:7]([OH:9])=O)=[CH:5][CH:4]=1.O.ON1C2C=CC=CC=2N=N1.Cl.CN(C)CCCN=C=NCC.[NH2:35][CH2:36][CH2:37][NH:38][C:39]1[N:47]=[C:46]([Cl:48])[N:45]=[C:44]2[C:40]=1[N:41]=[CH:42][N:43]2[CH:49]1[CH2:53][CH2:52][CH2:51][CH2:50]1>ClCCl.O>[Cl:48][C:46]1[N:45]=[C:44]2[C:40]([N:41]=[CH:42][N:43]2[CH:49]2[CH2:53][CH2:52][CH2:51][CH2:50]2)=[C:39]([NH:38][CH2:37][CH2:36][NH:35][C:7](=[O:9])[C:6]2[CH:5]=[CH:4][C:3]([S:2][CH3:1])=[CH:11][CH:10]=2)[N:47]=1

Participants

7

Reactant 4

HCID 832304-(Methylthio)benzoic acidHCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochlorideHCID 27960291-Hydroxybenzotriazole hydrateHCID 21922924N-(2-aminoethyl)-2-chloro-9-cyclopentyl-9H-purin-6-amine

Product 1

HCID 21922905HCID 21922905, compound

Reagents, catalysts & solvents 2

HCID 962WaterSolventHCID 6344DichloromethaneSolvent

Procedure

200 mg of 4-(methylthio) benzoic acid, 205 mg of 1-hydroxybenzotriazole hydrate, 290 mg of 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride in 4 ml of dichloromethane are mixed together, 280 mg of the product obtained in Stage 1 of Example 7 is added and the reaction medium is agitated for 4 hours and 30 minutes at ambient temperature. Water is added, followed by separating, washing with ether, drying and 336 mg of expected product is collected.

Workup

  1. customby separating
  2. washwashing with ether
  3. customdrying
  4. custom336 mg of expected product is collected

Sources & evidence

ORD record
ord-35a99c3441eb400088c221322806c2da
Source dataset
uspto-grants-2006_10
Patent number
US07122669B1

Reaction notes

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