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Phosphorus oxychloride → 6-Chloro-2-methylnicotinonitrile

HRID 574115
Notes
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Reaction equation

HRID 574115 reaction equation
[CH3:1][C:2]1[NH:3][C:4](=O)[CH:5]=[CH:6][C:7]=1[C:8]#[N:9].P(Cl)(Cl)([Cl:13])=O>>[Cl:13][C:4]1[CH:5]=[CH:6][C:7]([C:8]#[N:9])=[C:2]([CH3:1])[N:3]=1
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

3

Reactant 2

HCID 24813Phosphorus oxychlorideHCID 113785166-Hydroxy-2-methylnicotinonitrile

Product 1

HCID 123877376-Chloro-2-methylnicotinonitrileYield 54%

Procedure

A mixture of 131 (1.5 g, 11 mmol) and phosphorus oxychloride (9 mL, 0.1 mol) was heated at reflux for 6 h. The reaction mixture was cooled to room temperature, and the excess phosphorus oxychloride was removed under reduced pressure. Ice cold water (50 mL) was added to the residue. The brown precipitate was collected and washed with ice cold water (3×25 mL), ether (2×20 mL), and dried to provide 132 as a light-brown solid (0.9 g, 54%): mp 104-105° C. (lit. (Synthesis 1991, 894-896) mp 106-108° C.). 1HNMR (300 MHz, CDCl3) δ 7.83 (d, J=8.1 Hz, 1H), 7.29 (d, J=8.1 Hz, 1H), 2.77 (s, 3H).

Workup

  1. temperaturewas heated
  2. temperatureat reflux for 6 h
  3. customthe excess phosphorus oxychloride was removed under reduced pressure
  4. additionIce cold water (50 mL) was added to the residue
  5. customThe brown precipitate was collected
  6. washwashed with ice cold water (3×25 mL), ether (2×20 mL)
  7. customdried

Sources & evidence

ORD record
ord-862b4a0dc048400e81b27ac8639aa589
Source dataset
uspto-grants-2015_05
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US09034870B2

Reaction notes

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On this pageParticipantsProcedureWorkupSources & evidenceReaction notes