Cas no 848694-10-0 (2-Chloromethyl-4-methoxy-3,5-dimethylpyridine 1-Oxide)

2-Chloromethyl-4-methoxy-3,5-dimethylpyridine 1-Oxide structure
848694-10-0 structure
Product Name:2-Chloromethyl-4-methoxy-3,5-dimethylpyridine 1-Oxide
CAS No:848694-10-0
MF:C9H12ClNO2
MW:201.650081634521
MDL:MFCD27929719
CID:1060554
PubChem ID:21882943
Update Time:2024-10-26

2-Chloromethyl-4-methoxy-3,5-dimethylpyridine 1-Oxide Chemical and Physical Properties

Names and Identifiers

    • 2-Chloromethyl-4-methoxy-3,5-dimethylpyridine 1-Oxide
    • 2-(chloromethyl)-4-methoxy-3,5-dimethyl-1-oxidopyridin-1-ium
    • 2-chloromethyl-3,5-dimethyl-4-methoxypyridine-N-oxide
    • 4-methoxy-3,5-dimethyl-2-chloromethylpyridine-1-oxide
    • 2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridin-1-ium-1-olate
    • 2-(Chloromethyl)-4-methoxy-3，5-dimethylpyridine 1-oxide
    • DTXSID00619373
    • BS-17718
    • DB-303242
    • SCHEMBL311495
    • AKOS037649269
    • 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine1-oxide
    • LWEDMPDRWLOJDD-UHFFFAOYSA-N
    • 848694-10-0
    • MFCD27929719
    • 2-(Chloromethyl)-4-methoxy-3,5-dimethyl-1-oxo-1lambda~5~-pyridine
    • 2-(CHLOROMETHYL)-4-METHOXY-3,5-DIMETHYL-1-OXIDOPYRIDIN-1
    • MDL： MFCD27929719
    • Inchi： 1S/C9H12ClNO2/c1-6-5-11(12)8(4-10)7(2)9(6)13-3/h5H,4H2,1-3H3
    • InChI Key： LWEDMPDRWLOJDD-UHFFFAOYSA-N
    • SMILES： [O-][N+]1C(CCl)=C(C)C(OC)=C(C)C=1

Computed Properties

  • Exact Mass: 201.05600
  • Monoisotopic Mass: 201.0556563g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 168
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1
  • Topological Polar Surface Area: 34.7?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: 383.5±37.0 °C at 760 mmHg
  • Flash Point: 185.7±26.5 °C
  • PSA: 34.69000
  • LogP: 2.47930
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

2-Chloromethyl-4-methoxy-3,5-dimethylpyridine 1-Oxide Security Information

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2-Chloromethyl-4-methoxy-3,5-dimethylpyridine 1-Oxide Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Chloroform ,  Water ;  30 min, rt
1.2 Reagents: m-Chloroperbenzoic acid Solvents: Chloroform ,  Water ;  1 h, 55 - 60 °C; 30 min, 55 - 60 °C
1.3 Reagents: Sodium hydroxide Solvents: Water ;  pH 8.5 - 9
Reference
Synthesis and characterization of metabolites and potential impurities of the antiulcerative drug tenatoprazole
Reddy, Ganta Madhusudhan; Raju, V. V. N. K. V. Prasada; Babu, J. Moses; Praveen, Ch.; Khunt, Mayur; et al, Synthetic Communications, 2008, 38(11), 1725-1736

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium bicarbonate Solvents: Chloroform ,  Water ;  rt
1.2 Reagents: m-Chloroperbenzoic acid ;  85 min, 5 °C; 1 h, 5 °C
Reference
Efficient synthesis of N-oxide derivatives: Substituted 2-(2-(pyridyl-N-oxide)methylsulphinyl)benzimidazoles
Ray, Purna C.; Mittapelli, Vasantha; Rohatgi, Amit; Tyagi, Om Dutt, Synthetic Communications, 2007, 37(17), 2861-2868

2-Chloromethyl-4-methoxy-3,5-dimethylpyridine 1-Oxide Raw materials

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2-Chloromethyl-4-methoxy-3,5-dimethylpyridine 1-Oxide Suppliers

Amadis Chemical Company Limited
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(CAS:848694-10-0)2-Chloromethyl-4-methoxy-3,5-dimethylpyridine 1-Oxide
Order Number:A961286
Stock Status:in Stock
Quantity:100mg/250mg/1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 16:12
Price ($):162.0/307.0/765.0

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Amadis Chemical Company Limited
(CAS:848694-10-0)2-Chloromethyl-4-methoxy-3,5-dimethylpyridine 1-Oxide
A961286
Purity:99%/99%/99%
Quantity:100mg/250mg/1g
Price ($):162.0/307.0/765.0
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