Trifluoroacetic acid → 3-chloro-6,7,8,9-tetrahydro-5H-1,2,7-triaza-benzocycloheptene trifluoroacetate

HRID 571630Notes

Reaction equation

HRID 571630 reaction equation
C(OC([N:8]1[CH2:14][CH2:13][C:12]2[N:15]=[N:16][C:17]([Cl:19])=[CH:18][C:11]=2[CH2:10][CH2:9]1)=O)(C)(C)C.[F:20][C:21]([F:26])([F:25])[C:22]([OH:24])=[O:23]>C(Cl)Cl>[F:20][C:21]([F:26])([F:25])[C:22]([OH:24])=[O:23].[Cl:19][C:17]1[N:16]=[N:15][C:12]2[CH2:13][CH2:14][NH:8][CH2:9][CH2:10][C:11]=2[CH:18]=1

Participants

4

Reactant 2

HCID 6422Trifluoroacetic acidHCID 866860553-Chloro-5,6,8,9-tetrahydro-1,2,7-triaza-benzocycloheptene-7-carboxylic acid tert-butyl ester

Product 1

HCID 866978673-chloro-6,7,8,9-tetrahydro-5H-1,2,7-triaza-benzocycloheptene trifluoroacetate

Reagents, catalysts & solvents 1

HCID 6344DichloromethaneSolvent

Procedure

0.15 g (0.53 mmol) 3-chloro-5,6,8,9-tetrahydro-1,2,7-triaza-benzocycloheptene-7-carboxylic acid tert-butyl ester (CAS: 1251001-53-2), 0.4 mL trifluoroacetic acid and 2 mL DCM were stirred at RT for 4 hours. The reaction was concentrated to dryness. Yield: 0.16 g (quantitativ). ESI-MS: m/z=184/186 (M+H)+; Rt(HPLC): 0.41 min (Method K).

Workup

  1. concentrationThe reaction was concentrated to dryness

Sources & evidence

ORD record
ord-152cf5efd1cc4388b73d9efea802af8b
Source dataset
uspto-grants-2015_05
Patent number
US09029360B2

Reaction notes

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