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3,3,3-Trifluoropropyne → Ethyl 4-trifluoroprop-1-ynylbenzoate

HRID 2105852
ノート
印刷プレビュー

反応式

HRID 2105852 の反応式
[F:1][C:2]([F:6])([F:5])[C:3]#[CH:4].C([Li])CCC.C(O[C:15]1[CH:25]=[C:24](I)[CH:23]=[CH:22][C:16]=1[C:17]([O:19][CH2:20][CH3:21])=[O:18])C>[Cl-].[Zn+2].[Cl-].C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.O1CCCC1>[F:1][C:2]([F:6])([F:5])[C:3]#[C:4][C:24]1[CH:23]=[CH:22][C:16]([C:17]([O:19][CH2:20][CH3:21])=[O:18])=[CH:15][CH:25]=1
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

7

反応物 3

HCID 695783,3,3-TrifluoropropyneHCID 29934691Ethyl 2-ethoxy-4-iodobenzoateHCID 178418339Butyllithium

生成物 1

HCID 11264994Ethyl 4-trifluoroprop-1-ynylbenzoate収率 62.7%

試薬・触媒・溶媒 3

HCID 3007855Zincchloride触媒
HCID 178418397
HCID 178418397、化合物
触媒
HCID 8028Tetrahydrofuran溶媒

反応条件

温度
-78 °C

実験手順

3,3,3-Trifluoro-1-propyne (approx. 0.6 mL, approx. 6 mmol) was condensed in a flame-dried Schlenk tube immersed in a dry ice/acetone bath. Tetrahydrofuran (3 mL) was added followed by a solution of butyllithium in hexanes (2.15 mL, 3.44 mmol, 1.6 M). After stirring 2.5 h at −78° C., zinc chloride (6.87 mL, 3.44 mmol, 0.5 M solution in tetrahydrofuran) was added to the reaction mixture and the reaction vessel was transferred to an ice-water bath and maintained at 0° C. for 30 min. Ethyl 2-ethoxy-4-iodobenzoate (1.00 g, 3.12 mmol, prepared as described in example 14) and tetrakis(triphenylphosphine)palladium(0) (0.18 g, 0.16 mmol) were then added. The reaction vessel was allowed to warm to room temperature and then after 1 h warmed to 50° C. for 18 h. After cooling, the reaction mixture was partitioned between brine (70 mL) and methylene chloride (2×100 mL), dried over magnesium sulfate and evaporated. Purification of the crude residue by flash column chromatography (silica gel, eluting with 1/1 mixture of methylene chloride and hexanes) gave ethyl 4-trifluoroprop-1-ynylbenzoate as an off-white solid (0.474 g, 53%).

後処理

  1. customcondensed in a flame-dried Schlenk tube
  2. customimmersed in a dry ice/acetone bath
  3. customthe reaction vessel was transferred to an ice-water bath
  4. temperaturemaintained at 0° C. for 30 min
  5. temperatureto warm to room temperature
  6. temperatureafter 1 h warmed to 50° C. for 18 h
  7. temperatureAfter cooling
  8. customthe reaction mixture was partitioned between brine (70 mL) and methylene chloride (2×100 mL)
  9. dry with materialdried over magnesium sulfate
  10. customevaporated
  11. customPurification of the crude residue
  12. washby flash column chromatography (silica gel, eluting with 1/1 mixture of methylene chloride and hexanes)

出典と根拠

ORDレコード
ord-c77a61c3c64748c7befadbbb1bec093e
出典データセット
uspto-grants-2009_08
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07579368B2

反応ノート

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