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Hydrochloric Acid → 8-chloro-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine-1-acetic acid methyl ester

HRID 597071
ノート
印刷プレビュー

反応式

HRID 597071 の反応式
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[N:11]3[C:12]([CH2:15][C:16]#N)=[N:13][N:14]=[C:10]3[CH2:9][N:8]=[C:7]([C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=3)[C:6]=2[CH:24]=1.C[OH:26].Cl.[C:28](=O)(O)[O-:29].[Na+]>O.CCOCC>[CH3:28][O:29][C:16](=[O:26])[CH2:15][C:12]1[N:11]2[C:5]3[CH:4]=[CH:3][C:2]([Cl:1])=[CH:24][C:6]=3[C:7]([C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=3)=[N:8][CH2:9][C:10]2=[N:14][N:13]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

7

反応物 4

HCID 313Hydrochloric AcidHCID 887MethanolHCID 516892Sodium BicarbonateHCID 12562505(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)acetonitrile

生成物 1

HCID 125625068-chloro-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine-1-acetic acid methyl ester

試薬・触媒・溶媒 2

HCID 962
Water
溶媒
HCID 3283Diethyl Ether溶媒

実験手順

A stirred mixture of 8-chloro-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine-1-acetonitrile (1.00 g., 0.003 mole) methanol (2 ml.) and ether (6 ml.) is cooled in a salt-ice bath saturated with a stream of anhydrous hydrogen chloride during 15 minutes. The mixture is allowed to warm slowly to ambient temperature and stand for 18 hours; it is then poured into water. This mixture is neutralized with sodium bicarbonate and extracted with chloroform. The extract is washed with brine, dried over anhydrous magnesium sulfate and then concentrated. The residue is crystallized from methanol to give 0.149 g. of a by-product of melting point 184.5°-188° C. (d). The mother liquor is crystallized from methanol-ethyl acetate to give 0.126 g. of a by-product of melting point 205.5°-207.5° C. (d). The mother liquor from this crystallization is concentrated and chromatographed on silica gel (50 g.) with 2% methanol-98% chloroform. The first compound eluted from the column is crystallized from methanol-ethyl acetate to give 8-chloro-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine-1-acetic acid methyl ester in two crops: 0.169 g. of melting point 202°-203.5° C. (d.) and 0.125 g. of melting point 200.5°-202.5° C. (d.). The analytical sample had a melting point of 202°-203° C.

後処理

  1. extractionextracted with chloroform
  2. washThe extract is washed with brine
  3. dry with materialdried over anhydrous magnesium sulfate
  4. concentrationconcentrated
  5. customThe residue is crystallized from methanol
  6. customto give 0.149 g
  7. customThe mother liquor is crystallized from methanol-ethyl acetate
  8. customto give 0.126 g
  9. customThe mother liquor from this crystallization
  10. concentrationis concentrated
  11. customchromatographed on silica gel (50 g.) with 2% methanol-98% chloroform
  12. washThe first compound eluted from the column
  13. customis crystallized from methanol-ethyl acetate

出典と根拠

ORDレコード
ord-de060242d25c49e583e9cabd16f84bf2
出典データセット
uspto-grants-1977_03
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US04012413

反応ノート

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