Cyclopropylamine → HCID 86725119, compound

HRID 634311Notes

Reaction equation

HRID 634311 reaction equation
[Cl:1][C:2]1[N:7]=[C:6]([C:8]([OH:10])=O)[CH:5]=[CH:4][N:3]=1.CC[N:13]([CH:17]([CH3:19])[CH3:18])C(C)C.C1CN([P+](ON2N=NC3C=CC=CC2=3)(N2CCCC2)N2CCCC2)CC1.F[P-](F)(F)(F)(F)F.C1(N)CC1>O1CCOCC1>[Cl:1][C:2]1[N:7]=[C:6]([C:8]([NH:13][CH:17]2[CH2:19][CH2:18]2)=[O:10])[CH:5]=[CH:4][N:3]=1

Participants

6

Procedure

2-Chloropyrimidine-4-carboxylic acid (0.516 g, 3.25 mmol) (Maybridge Chemicals, Maybridge, UK), DIPEA (0.94 mL, 5.42 mmol) and PyBop (1.69 g, 3.25 mmol) were weighed into a 150 mL RBF and dissolved in dioxane (15 mL). The solution was stirred at RT, then cooled to 0° C., and stirred for 5 min. Cyclopropylamine (0.38 mL, 5.42 mmol) was added, and the solution was stirred at 0° C. for 1 h. The mixture became solid. Additional dioxane was added (6 mL), the flask was removed from the ice bath and the contents were stirred at RT for 68 h. EtOAc was added and the mixture was washed with water (75 mL), 1 N NaOH (75 mL) and brine (75 mL). The crude material was purified by flash chromatography using an ISCO Combiflash Rf(25 g Thomson Single Step silica gel column; 20-100% EtOAc in hexanes) to afford 2-chloro-N-cyclopropylpyrimidine-4-carboxamide (0.139 g, 0.703 mmol, 25.9% yield) as a yellow oil. MS (ESI, pos. ion) m/z: 197.9 (M+H)+.

Workup

  1. temperaturecooled to 0° C.
  2. stirringstirred for 5 min
  3. stirringthe solution was stirred at 0° C. for 1 h
  4. customthe flask was removed from the ice bath
  5. stirringthe contents were stirred at RT for 68 h
  6. additionEtOAc was added
  7. washthe mixture was washed with water (75 mL), 1 N NaOH (75 mL) and brine (75 mL)
  8. customThe crude material was purified by flash chromatography

Sources & evidence

ORD record
ord-43c06c15d36b49f98874cad252f64495
Source dataset
uspto-grants-2016_04
Patent number
US09321756B2

Reaction notes

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