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Methanol → 4-Methyl-2-(4-trifluoromethyl-phenyl)-oxazole-5-carboxylic acid methyl ester

HRID 854520
Notes
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Reaction equation

HRID 854520 reaction equation
[F:1][C:2]([F:18])([F:17])[C:3]1[CH:16]=[CH:15][C:6]([C:7]([NH:9][CH:10]([CH3:14])[C:11]([OH:13])=O)=O)=[CH:5][CH:4]=1.[C:19](Cl)(=[O:23])C(Cl)=O.C(N(CC)CC)C.[CH3:32][OH:33]>CN(C=O)C>[CH3:32][O:33][C:19]([C:11]1[O:13][C:7]([C:6]2[CH:5]=[CH:4][C:3]([C:2]([F:1])([F:17])[F:18])=[CH:16][CH:15]=2)=[N:9][C:10]=1[CH3:14])=[O:23]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

6

Reactant 4

HCID 887MethanolHCID 8471TriethylamineHCID 65578Oxalyl chlorideHCID 21942791HCID 21942791, compound

Product 1

HCID 592122174-Methyl-2-(4-trifluoromethyl-phenyl)-oxazole-5-carboxylic acid methyl esterYield 35%

Reagents, catalysts & solvents 1

HCID 6228
Dimethylformamide
Catalyst

Conditions

Temperature
0 °C

Procedure

To a solution of 2-(4-Trifluoromethyl-benzoylamino)-propionic acid (33.4 g, 128 mmol) is added oxalyl chloride (111 mL, 1.27 Mol) and 1 drop of DMF and the solution stirred overnight. The volatiles are removed in vacuo and toluene (20 mL) is added. The toluene is then removed in vacuo. To the resultant crude oil is dissolve in 50 mL methylene chloride, cooled to 0° C. and triethylamine (27 mL, 192 mmol) is added followed by methanol (50 mL). After 3 hrs the volatiles are removed in vacuo and the crude oil is purified by flash column chromatography (20%-50% ethyl acetate/hexanes) to provide 12.6 g (35%) of 4-Methyl-2-(4-trifluoromethyl-phenyl)-oxazole-5-carboxylic acid methyl ester. This ester (2.0 g, 7.0 mmol) is reduced to the alcohol by dissolution in THF (50 mL) and adding 4 eq. LiBH4 (0.610 g, 28.0 mmol) to provide 1.8 g (100%) [4-Methyl-2-(4-trifluoromethyl-phenyl)-oxazol-5-yl]-methanol. MS M++1 258.

Workup

  1. customThe volatiles are removed in vacuo and toluene (20 mL)
  2. additionis added
  3. customThe toluene is then removed in vacuo
  4. dissolutionTo the resultant crude oil is dissolve in 50 mL methylene chloride
  5. customAfter 3 hrs the volatiles are removed in vacuo
  6. customthe crude oil is purified by flash column chromatography (20%-50% ethyl acetate/hexanes)

Sources & evidence

ORD record
ord-c0ee2894270c4140b40cf4bd38e61d67
Source dataset
uspto-grants-2007_08
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07259175B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes