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Hydrochloric Acid → 6-Amino-5-chloro-2-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid ethyl ester

HRID 605479
Notes
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Reaction equation

HRID 605479 reaction equation
Cl.[C:2](Cl)(=O)[CH3:3].[NH2:6][C:7]1[N:12]=[C:11]([C:13]2[CH:18]=[CH:17][C:16]([Cl:19])=[CH:15][C:14]=2[F:20])[N:10]=[C:9]([C:21]([OH:23])=[O:22])[C:8]=1[Cl:24].C(OCC)(=O)C.CCCCCC>C(O)C>[CH2:2]([O:22][C:21]([C:9]1[C:8]([Cl:24])=[C:7]([NH2:6])[N:12]=[C:11]([C:13]2[CH:18]=[CH:17][C:16]([Cl:19])=[CH:15][C:14]=2[F:20])[N:10]=1)=[O:23])[CH3:3]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 6367Acetyl chlorideHCID 21226206Ethyl acetate hexaneHCID 251735426-Amino-5-chloro-2-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid

Product 1

HCID 670481286-Amino-5-chloro-2-(4-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid ethyl esterYield 63.5%

Reagents, catalysts & solvents 1

HCID 702EthanolSolvent2×

Conditions

Temperature
62 °C

Procedure

A 1N solution of HCl in ethanol was generated by adding 0.565 mL of acetyl chloride dropwise to 12 mL of ethanol cooled in an ice bath. This solution was added to 200 mg of 6-amino-5-chloro-2-(4-chloro-2-fluorophenyl)-pyrimidine-4-carboxylic acid and the resulting solution was heated at 62° C. overnight. The reaction mixture was concentrated and the residue partitioned between ethyl acetate and water. The organic phase was dried and concentrated, and the product was purified by column chromatography (dichloromethane/ethyl acetate gradient). A second chromatography utilizing an amine-functionalized silica gel column (Biotage KP-NH) and an ethyl acetate/hexane gradient solvent system yielded the title compound (139 mg, 63.5% yield): mp 131-132° C.: 1H NMR (CDCl3): δ 7.97 (m, 1H), 7.2 (m, 2H), 5.63 (br s, 2H), 4.48 (q, 2H), 1.44 (t, 3H).

Workup

  1. temperaturecooled in an ice bath
  2. concentrationThe reaction mixture was concentrated
  3. customthe residue partitioned between ethyl acetate and water
  4. customThe organic phase was dried
  5. concentrationconcentrated
  6. customthe product was purified by column chromatography (dichloromethane/ethyl acetate gradient)

Sources & evidence

ORD record
ord-ec1cd09bd1274e7ca73011dfbe7f4a4b
Source dataset
uspto-grants-2011_03
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07915200B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes