Cas no 89352-76-1 ((5-Desmethoxy-6-methoxy) 1-N-Methyl Omeprazole)

(5-Desmethoxy-6-methoxy) 1-N-Methyl Omeprazole structure
89352-76-1 structure
Product Name:(5-Desmethoxy-6-methoxy) 1-N-Methyl Omeprazole
CAS No:89352-76-1
MF:C18H21N3O3S
MW:359.44264292717
CID:854383
PubChem ID:5324591
Update Time:2024-10-26

(5-Desmethoxy-6-methoxy) 1-N-Methyl Omeprazole Chemical and Physical Properties

Names and Identifiers

    • N-Methyl OMeprazole (Mixture of isoMers with the Methylated nitrogens of iMidazole)
    • 5-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1-methyl-1H-benzo[d]imidazole
    • 5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1-methylbenzimidazole,6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1-methylbenzimidazole
    • N-Methyl Omeprazole
    • N-Methyl Omeprazole (Mixture of isomers with the methylated nitrogens of imidazole)
    • 1H-Benzimidazole, 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1-methyl-, (±)- (ZCI)
    • 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1-methyl-1H-benzimidazole (ACI)
    • Esomeprazole Impurity 11(Mixture of Isomers)
    • (5-Desmethoxy-6-methoxy) 1-N-Methyl Omeprazole
    • VAK4E4QKJ4
    • CS-0197480
    • 5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1-methyl-1H-benzimidazole
    • (S)-5-Methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)-1-methyl-1H-benzo[d]imidazole
    • UNII-VAK4E4QKJ4
    • CHEMBL4589446
    • BS-50563
    • AC-30004
    • SCHEMBL2592828
    • N-METHYLOMEPRAZOLE
    • 5-Methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-1-methyl-1H-benzimidazole
    • 89352-76-1
    • 1H-benzimidazole, 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1-methyl-
    • DS-015878
    • 5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1-methyl-1H-1,3-benzodiazole
    • 1H-Benzimidazole, 5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-1-methyl-
    • 5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1-methylbenzimidazole
    • 5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1-methyl-1,3-benzodiazole
    • MDL: N/A
    • Inchi: 1S/C18H21N3O3S/c1-11-9-19-15(12(2)17(11)24-5)10-25(22)18-20-14-8-13(23-4)6-7-16(14)21(18)3/h6-9H,10H2,1-5H3
    • InChI Key: RUGQJBJNYIHOIW-UHFFFAOYSA-N
    • SMILES: O=S(CC1C(C)=C(OC)C(C)=CN=1)C1N(C)C2C(=CC(=CC=2)OC)N=1

Computed Properties

  • Exact Mass: 359.13036271g/mol
  • Monoisotopic Mass: 359.13036271g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 50
  • Rotatable Bond Count: 10
  • Complexity: 481
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 85.4?2

Experimental Properties

  • Density: 1.30
  • Melting Point: 132-135°C
  • Boiling Point: NA

(5-Desmethoxy-6-methoxy) 1-N-Methyl Omeprazole Security Information

(5-Desmethoxy-6-methoxy) 1-N-Methyl Omeprazole Customs Data

  • HS CODE:29339900

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(5-Desmethoxy-6-methoxy) 1-N-Methyl Omeprazole Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: 1,8-Diazabicyclo[5.4.0]undec-7-ene Solvents: Dichloromethane ;  rt
1.2 Solvents: Water ;  30 min, rt
Reference
Chemistry of Covalent Inhibition of the Gastric (H+, K+)-ATPase by Proton Pump Inhibitors
Shin, Jai Moo; Cho, Young Moon; Sachs, George, Journal of the American Chemical Society, 2004, 126(25), 7800-7811

Production Method 2

Reaction Conditions
1.1 Catalysts: Iron(III) acetylacetonate ,  2,4-Dichloro-6-[(E)-[[(1S)-1-(hydroxymethyl)-2,2-dimethylpropyl]imino]methyl]phe… Solvents: Ethyl acetate ;  30 min, 25 °C
1.2 Reagents: Benzoic acid, 4-(dimethylamino)-, lithium salt (1:1) Solvents: Ethyl acetate ;  30 min, 25 °C
1.3 Reagents: Hydrogen peroxide Solvents: Ethyl acetate ;  -7 °C; 2 min, -7 °C; 5.5 h, -7 °C
Reference
Synthesis of Esomeprazole and Related Proton Pump Inhibitors through Iron-Catalyzed Enantioselective Sulfoxidation
Nishiguchi, Shigenobu; Izumi, Takuhiro; Kouno, Takayoshi; Sukegawa, Junpei; Ilies, Laurean ; et al, ACS Catalysis, 2018, 8(10), 9738-9743

(5-Desmethoxy-6-methoxy) 1-N-Methyl Omeprazole Raw materials

(5-Desmethoxy-6-methoxy) 1-N-Methyl Omeprazole Preparation Products

(5-Desmethoxy-6-methoxy) 1-N-Methyl Omeprazole Suppliers

Amadis Chemical Company Limited
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(CAS:89352-76-1)(5-Desmethoxy-6-methoxy) 1-N-Methyl Omeprazole
Order Number:A901451
Stock Status:in Stock
Quantity:250mg/1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 12:08
Price ($):162.0/412.0
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Amadis Chemical Company Limited
(CAS:89352-76-1)(5-Desmethoxy-6-methoxy) 1-N-Methyl Omeprazole
A901451
Purity:99%/99%
Quantity:250mg/1g
Price ($):162.0/412.0
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