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Acetic Acid → HCID 69337355、化合物

HRID 1179080
ノート
印刷プレビュー

反応式

HRID 1179080 の反応式
[CH2:1]1[C:13]2[NH:12][C:11]3[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=3)[C:5]=2[CH2:4][CH2:3][NH:2]1.[CH3:14][N:15]([CH3:29])[C:16]1([C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)[CH2:21][CH2:20][C:19](=O)[CH2:18][CH2:17]1.C(O)(=O)C.[BH-](OC(C)=O)(OC(C)=O)OC(C)=O.[Na+].[ClH:48].C1(N)C(F)=C(F)C(F)=C(N)C=1F.Cl.Cl>C1COCC1.ClCCCl.CC(=O)CC.C(O)C>[ClH:48].[ClH:48].[CH3:14][N:15]([CH3:29])[C:16]1([C:23]2[CH:24]=[CH:25][CH:26]=[CH:27][CH:28]=2)[CH2:17][CH2:18][CH:19]([N:2]2[CH2:3][CH2:4][C:5]3[C:6]4[C:11](=[CH:10][CH:9]=[CH:8][CH:7]=4)[NH:12][C:13]=3[CH2:1]2)[CH2:20][CH2:21]1
参加物実験手順後処理出典と根拠反応ノート

参加物

11

反応物 6

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 107838Tetrahydro-beta-carbolineHCID 149026Tetrafluoro-m-phenylenediamine dihydrochlorideHCID 5049666Sodium triacetoxyborohydrideHCID 114244924-(Dimethylamino)-4-phenylcyclohexan-1-one

生成物 1

HCID 69337355
HCID 69337355、化合物

試薬・触媒・溶媒 4

HCID 111,2-Dichloroethane溶媒HCID 702Ethanol溶媒HCID 6569Methyl Ethyl Ketone溶媒HCID 8028Tetrahydrofuran溶媒

実験手順

2,3,4,9-Tetrahydro-1H-β-carboline (345 mg) and 4-dimethylamino-4-phenylcyclohexanone (435 mg) were dissolved in a mixture of THF (10 ml) and 1,2-dichloroethane (15 ml) under argon, and acetic acid (120 mg, 2 mmol.) was added thereto. After 15 minutes, NaBH(OAc)3 (600 mg) was added, stirring was carried out for 68 hours, the reaction mixture was concentrated and the residue was taken up in 1N hydrochloric acid (20 ml) and washed with ether (2×20 ml). The aqueous solution was rendered alkaline with 1M NaOH (30 ml) and extracted with ether (3×30 ml). After drying and concentration of the combined extracts, a semi-solid crude product was obtained which, after separation by column chromatography with methanol/NH3 (500:3), yielded the nonpolar diastereomer (334 mg, m.p. 147-150° C.) which, dissolved with heating in 2-butanone (20 ml) and ethanol (10 ml), was converted with 3.3M ethanolic hydrochloric acid (0.8 ml) into the corresponding dihydrochloride (335 mg; 264-269° C.).

後処理

  1. waitwas carried out for 68 hours
  2. concentrationthe reaction mixture was concentrated
  3. washwashed with ether (2×20 ml)
  4. extractionextracted with ether (3×30 ml)
  5. customAfter drying
  6. customconcentration of the combined extracts, a semi-solid crude product was obtained which
  7. customafter separation by column chromatography with methanol/NH3 (500:3)
  8. customyielded the nonpolar diastereomer (334 mg, m.p. 147-150° C.) which
  9. dissolutiondissolved

出典と根拠

ORDレコード
ord-19c1d4ffab3246989c14b1efd16e453b
出典データセット
uspto-grants-2007_10
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07276518B2

反応ノート

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