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Dichloromethane → 3-Bromo-4-(2-hydroxyethoxy)-5-(3-chloro4-fluorophenyl)benzoic acid ethyl ester

HRID 324081
ノート
印刷プレビュー

反応式

HRID 324081 の反応式
C([O-])([O-])=O.[K+].[K+].[CH2:7]([O:9][C:10](=[O:23])[C:11]1[CH:16]=[C:15](I)[C:14]([O:18][CH2:19][CH2:20][OH:21])=[C:13]([Br:22])[CH:12]=1)[CH3:8].[Cl:24][C:25]1[CH:26]=[C:27](B(O)O)[CH:28]=[CH:29][C:30]=1[F:31].C(Cl)Cl>O.Cl.O1CCOCC1>[CH2:7]([O:9][C:10](=[O:23])[C:11]1[CH:16]=[C:15]([C:27]2[CH:28]=[CH:29][C:30]([F:31])=[C:25]([Cl:24])[CH:26]=2)[C:14]([O:18][CH2:19][CH2:20][OH:21])=[C:13]([Br:22])[CH:12]=1)[CH3:8]
参加物実験手順後処理出典と根拠反応ノート

参加物

8

反応物 4

HCID 6344DichloromethaneHCID 11430Potassium CarbonateHCID 27346603-Chloro-4-fluorophenylboronic Acid (contains varying amounts of Anhydride)HCID 113389853-Bromo-4-(2-hydroxyethoxy)-5-iodobenzoic acid ethyl ester

生成物 1

HCID 541260063-Bromo-4-(2-hydroxyethoxy)-5-(3-chloro4-fluorophenyl)benzoic acid ethyl ester

試薬・触媒・溶媒 3

HCID 313
Hydrochloric Acid
溶媒
HCID 962Water溶媒2 回
HCID 312751,4-Dioxane溶媒

実験手順

To a stirred solution of K2CO3 (4.99 g, 36.1 mmol) in 18 mL H2O was added 145 mL dioxane, 3-bromo-4-(2-hydroxyethoxy)-5-iodobenzoic acid ethyl ester (5.0 g, 12.04 mmol), and 3-chloro-4-fluorophenylboronic acid (2.1 g, 12.04 mmol) at room temperature. This mixture was stirred for 5 min then degassed twice. Then [1,1í-bis(diphenylphosphino)ferrocene]dichloropalladium(II), complex with CH2Cl2 (49 mg, 0.06 mmol) was added. The reaction was stirred for three hours then 98 mg, 0.12 mmol, of the catalyst was added. The reaction was allowed to stir for five days at room temperature before being worked up in the following manner. The reaction was diluted with 1N HCl and H2O and extracting with EtOAc three times. The combined organic extracts were dried over Na2SO4 and filtered. Removal of the solvent in vacuo gave crude material which was subjected to prep HPLC to yield 2 g, 35.5% of the bis arylated product 1H NMR (CDCl3) δ1.40 (t, J=8.18 Hz, 3H); 1.945 (s, 1H); 3.712 (m, 4H); 4.36 (q, J=8.18 Hz, 2H); 7.19-7.23 (m, 1H); 7.40-7.45 (m, 1H); 7.60-7.65 (dd, J=8.18 Hz, 2.73 Hz, 1H); 7.91 (d, J=2.73 Hz, 1H); 8.24 (d, J=2.73 Hz, 1H); and 860 mg, 17.1% of the mono arylated product 1H NMR (CDCl3) δ1.29 (bs, 1H); 1.41 (t, J=8.18 Hz, 3H); 3.40 (m, 4H); 4.40 (q, J=8.18 Hz, 2H); 7.20-7.28, (m, 2H); 7 454-7.545 (m, 2H); 7.69 (dd, J=8.18 Hz, 2.73 Hz, 2H); 8.013 (s, 1H); and 38% recoveredSM.

後処理

  1. customthen degassed twice
  2. stirringThe reaction was stirred for three hours
  3. addition98 mg, 0.12 mmol, of the catalyst was added
  4. stirringto stir for five days at room temperature
  5. extractionextracting with EtOAc three times
  6. dry with materialThe combined organic extracts were dried over Na2SO4
  7. filtrationfiltered
  8. customRemoval of the solvent in vacuo
  9. customgave crude material which
  10. customto yield 2 g, 35.5% of the bis

出典と根拠

ORDレコード
ord-d19f02a14dac45fc90f5cb134a5ceb2b
出典データセット
uspto-grants-2001_04
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US06214877B1

反応ノート

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