Cas no 860-24-2 (1-[(1R)-1-[(3,4-Dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl]ethanone)

1-[(1R)-1-[(3,4-Dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl]ethanone structure
860-24-2 structure
Product Name:1-[(1R)-1-[(3,4-Dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl]ethanone
CAS No:860-24-2
MF:C22H27NO5
MW:385.453486680985
CID:5667548
Update Time:2023-09-11

1-[(1R)-1-[(3,4-Dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl]ethanone Chemical and Physical Properties

Names and Identifiers

    • 1-[(1R)-1-[(3,4-Dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl]ethanone
    • Inchi: 1S/C22H27NO5/c1-14(24)23-9-8-16-12-21(27-4)22(28-5)13-17(16)18(23)10-15-6-7-19(25-2)20(11-15)26-3/h6-7,11-13,18H,8-10H2,1-5H3/t18-/m1/s1
    • InChI Key: JIDKUPJJVWNDTF-GOSISDBHSA-N
    • SMILES: C(=O)(N1CCC2=C([C@H]1CC1=CC=C(OC)C(OC)=C1)C=C(OC)C(OC)=C2)C

Experimental Properties

  • Density: 1.157±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
  • Boiling Point: 548.5±50.0 °C(Predicted)
  • pka: -1.05±0.40(Predicted)

1-[(1R)-1-[(3,4-Dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl]ethanone Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Water ;  rt
1.2 Reagents: Ammonium hydroxide Solvents: Water ;  rt
1.3 Solvents: Dichloromethane ;  rt
1.4 Solvents: Isopropanol ;  rt
1.5 Reagents: N-Acetyl-D-leucine ;  rt → reflux; 30 min, reflux; reflux → rt; overnight, rt
1.6 Solvents: Water ;  rt
1.7 Reagents: Ammonium hydroxide Solvents: Water ;  rt
1.8 Solvents: Dichloromethane ;  rt
1.9 Solvents: Acetic acid ;  rt → 75 °C; 5 - 6 h, 70 - 75 °C
1.10 Solvents: Toluene ;  70 - 75 °C
1.11 30 min, 70 - 75 °C; 70 °C → rt
1.12 Solvents: Acetone ;  rt → 2 °C
1.13 Solvents: Acetone ;  overnight, 2 - 8 °C
Reference
Novel process for the preparation of cisatracurium besylate
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1-[(1R)-1-[(3,4-Dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl]ethanone Raw materials

1-[(1R)-1-[(3,4-Dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl]ethanone Preparation Products

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