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Propyne → 4-(1-Propynyl)phthalic Anhydride

HRID 1620355
Notes
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Reaction equation

HRID 1620355 reaction equation
Br[C:2]1[CH:12]=[CH:11][CH:10]=[C:4]2[C:5]([O:7][C:8](=[O:9])[C:3]=12)=[O:6].C(N(CC)CC)C.[CH:20]#[C:21][CH3:22]>Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.[Cu]I.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(C)C=CC=CC=1>[C:20]([C:12]1[CH:2]=[C:3]2[C:4](=[CH:10][CH:11]=1)[C:5](=[O:6])[O:7][C:8]2=[O:9])#[C:21][CH3:22]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

8

Reactant 3

HCID 6335PropyneHCID 8471TriethylamineHCID 3502553-Bromophthalic Anhydride

Product 1

HCID 213394334-(1-Propynyl)phthalic AnhydrideYield 98%

Reagents, catalysts & solvents 4

HCID 11776TriphenylphosphineCatalyst
HCID 24350
Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)
Catalyst
HCID 178418476HCID 178418476, compoundCatalyst
HCID 1140TolueneSolvent

Conditions

Temperature
50 °C

Procedure

Bromophtalic anhydride (50.0 g, 0.22 mol), triethylamine (33.8 mL, 0.24 mol) and toluene (220 mL) were mixed in a glass reactor over nitrogen (g) atmosphere at room temperature. Bis(triphenylphosphine)palladiumchloride (0.77 g, 0.001 mol), CuI (0.42 g, 0.002 mol) and triphenylphosphine (0.87 g, 0.003 mol) were added and the temperature was raised to 50° C. Propyne (18.0 g, 0.45 mol) was slowly added through a gas inlet during 3 hours. The reaction mixture was filtered through a glass filter funnel and the solution was concentrated to dryness to give crude solid product (40.1 g, 98%). The product was re-crystallized from toluene to give a light yellow solid (24.7 g, 60%).

Workup

  1. filtrationThe reaction mixture was filtered through a glass
  2. filtrationfilter funnel
  3. concentrationthe solution was concentrated to dryness

Sources & evidence

ORD record
ord-2b038663f3084b99aee39161d65e8bfa
Source dataset
uspto-grants-2014_07
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08772418B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes