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Toluene → 4-Methylcyclohex-3-ene-1-carbonyl chloride

HRID 1046456
Notes
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Reaction equation

HRID 1046456 reaction equation
[CH3:1][C:2]1[CH2:7][CH2:6][C@H:5]([C:8]([OH:10])=O)[CH2:4][CH:3]=1.C1(C)C=CC=CC=1.[O-]P([O-])([O-])=O.[K+].[K+].[K+].C(Cl)(=O)C([Cl:29])=O>ClCCl.CN(C)C=O>[CH3:1][C:2]1[CH2:7][CH2:6][CH:5]([C:8]([Cl:29])=[O:10])[CH2:4][CH:3]=1
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

7

Reactant 4

HCID 1140TolueneHCID 62657Potassium Phosphate, TribasicHCID 65578Oxalyl chlorideHCID 10877190(1S)-4-methylcyclohex-3-ene-1-carboxylic acid

Product 1

HCID 129514754-Methylcyclohex-3-ene-1-carbonyl chloride

Reagents, catalysts & solvents 2

HCID 6228
Dimethylformamide
Catalyst
HCID 6344DichloromethaneSolvent

Conditions

Temperature
0 °C

Procedure

(1S)-4-Methyl-cyclohex-3-enecarboxylic acid (209 mg, 1.5 mmol), azeotropically dried by evaporation from toluene, was treated with potassium phosphate tribasic (383 mg, 1.8 mmol), suspended in dichloromethane (4 mL) and treated with dimethylformamide (2 drops). The reaction mixture was cooled to 0° C. and treated dropwise with oxalyl chloride (0.3 mL, 3.2 mmol). The reaction mixture was allowed to warm to ambient temperature while stirring for 2 h. After filtering the solids, the solution was concentrated, treated with hexanes and concentrated again to afford 4-methyl-cyclohex-3-enecarbonyl chloride (S) as a light yellow oil which was used immediately in the next step.

Workup

  1. temperatureto warm to ambient temperature
  2. filtrationAfter filtering the solids
  3. concentrationthe solution was concentrated
  4. additiontreated with hexanes
  5. concentrationconcentrated again

Sources & evidence

ORD record
ord-dd27bbce076d4f479e2567e220183770
Source dataset
uspto-grants-2013_10
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08569302B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes