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Hydrochloric Acid → HCID 178482249, compound

HRID 1189634
Notes
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Reaction equation

HRID 1189634 reaction equation
[F:1][C:2]1([F:7])[CH2:5][CH:4]([NH2:6])[CH2:3]1.Cl.CCN(C(C)C)C(C)C.[F:18][C:19]([F:42])([F:41])[C@H:20]1[CH2:25][CH2:24][C@H:23]([NH:26][C:27](=[O:40])[C:28]2[CH:33]=[C:32]([N+:34]([O-:36])=[O:35])[C:31]([NH:37][CH3:38])=[CH:30][C:29]=2F)[CH2:22][CH2:21]1>CC#N>[F:18][C:19]([F:41])([F:42])[C@H:20]1[CH2:25][CH2:24][C@H:23]([NH:26][C:27](=[O:40])[C:28]2[CH:33]=[C:32]([N+:34]([O-:36])=[O:35])[C:31]([NH:37][CH3:38])=[CH:30][C:29]=2[NH:6][CH:4]2[CH2:5][C:2]([F:7])([F:1])[CH2:3]2)[CH2:22][CH2:21]1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 81531DiisopropylethylamineHCID 225009513,3-Difluorocyclobutan-1-amineHCID 178482229HCID 178482229, compound

Product 1

HCID 178482249HCID 178482249, compound

Reagents, catalysts & solvents 1

HCID 6342
Acetonitrile
Solvent

Procedure

A mixture of 3,3-difluoro-cyclobutylamine×HCl (49 mg, 0.34 mmol), DIPEA (0.26 ml, 1.5 mmol), N-(trans-4-trifluoromethyl-cyclohexyl)-2-fluoro-4-methylamino-5-nitro-benzoic acid amide (125 mg, 0.34 mmol, prepared according to WO2010/100249) and MeCN (5 mL) is stirred for 16 h at reflux. Then the mixture is concentrated, diluted with EtOAc, washed with water, concentrated, dried and directly used in the next step.

Workup

  1. temperatureat reflux
  2. concentrationThen the mixture is concentrated
  3. additiondiluted with EtOAc
  4. washwashed with water
  5. concentrationconcentrated
  6. customdried

Sources & evidence

ORD record
ord-2258553dd74244a3b41e4d86905ffb7c
Source dataset
uspto-grants-2014_03
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08674113B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes