Cas no 872-73-1 (1,2-Dimethylpyridin-1-ium Iodide)

1,2-Dimethylpyridin-1-ium Iodide structure
872-73-1 structure
Product Name:1,2-Dimethylpyridin-1-ium Iodide
CAS No:872-73-1
MF:C7H10IN
MW:235.065474033356
MDL:MFCD00031867
CID:861441
PubChem ID:70107
Update Time:2024-10-26

1,2-Dimethylpyridin-1-ium Iodide Chemical and Physical Properties

Names and Identifiers

    • 1 2-DIMETHYLPYRIDINIUM IODIDE 97
    • 1,2-Dimethylpyridin-1-ium iodide
    • 1,2-Dimethylpyridinium
    • A-PICOLINE METHYLIODIDE
    • 1,2-Dimethylpyridinium iodide
    • 1-Methyl-2-picolinium iodide
    • 2-chloro-1-methylpyridinum iodide
    • 2-methyl-N-methyl pyridinium iodide
    • 2-Methylpyridine methiodide
    • 2-Methylpyridinium iodomethylate
    • 2-Picolinium,1-methyl-,iodide
    • 2-Picolinium,iodide
    • N-methyl-2-methylpyridinium iodide
    • Pyridinium,1,2-dimethyl-,iodide
    • n,2-dimethylpyridinium iodide
    • 1-Methyl-2-picolinium iodide (6CI, 7CI)
    • 2-Picolinium, 1-methyl-, iodide (8CI)
    • Pyridinium, 1,2-dimethyl-, iodide (9CI)
    • 2-Methyl-N-methylpyridinium iodide
    • 2-Methylpyridinium methiodide
    • N-Methyl-α-picolinium iodide
    • α-Picoline methiodide
    • 1,2-Dimethylpyridiniumiodide
    • 1,2-Dimethylpyridin-1-ium Iodide
    • MDL: MFCD00031867
    • Inchi: 1S/C7H10N.HI/c1-7-5-3-4-6-8(7)2;/h3-6H,1-2H3;1H/q+1;/p-1
    • InChI Key: HNULCUYNXDDQCB-UHFFFAOYSA-M
    • SMILES: [I-].C1C=C(C)[N+](C)=CC=1

Computed Properties

  • Exact Mass: 234.98600
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 70.8
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing

Experimental Properties

  • Color/Form: Acicular crystals
  • Melting Point: 230-234?°C(lit.)
  • PSA: 3.88000
  • LogP: -2.17650
  • Solubility: Not determined

1,2-Dimethylpyridin-1-ium Iodide Security Information

  • WGK Germany:3
  • Hazard Category Code: 22-36
  • Safety Instruction: S26; S36
  • RTECS:TJ7700000
  • Hazardous Material Identification: Xn
  • Risk Phrases:R22; R36

1,2-Dimethylpyridin-1-ium Iodide Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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1,2-Dimethylpyridin-1-ium Iodide Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Dithiothreitol Catalysts: Nicotinamide N-methyltransferase Solvents: Water ;  5 min, pH 8.6, 37 °C
1.2 Solvents: Dimethyl sulfoxide ;  60 min, 37 °C
1.3 Solvents: Acetonitrile
Reference
A rapid and efficient assay for the characterization of substrates and inhibitors of nicotinamide N-methyltransferase
van Haren, Matthijs J.; et al, Biochemistry, 2016, 55(37), 5307-5315

Production Method 2

Reaction Conditions
Reference
Styryl dye possessing donor-π-acceptor structure - Synthesis, spectroscopic and computational studies
Jedrzejewska, Beata; et al, Dyes and Pigments, 2013, 99(3), 673-685

Production Method 3

Reaction Conditions
1.1 Solvents: Acetonitrile ;  reflux
Reference
Synthesis and solvatochromism of dipodal and tripodal dyes derived from Brooker's merocyanine
dos Santos, Miria C.; et al, Journal of Molecular Liquids, 2023, 386,

Production Method 4

Reaction Conditions
1.1 Solvents: Diethyl ether ;  overnight, rt
Reference
A cationic naphthyl derivative defies the non-equilibrated excited rotamers principle
Cesaretti, A.; et al, Physical Chemistry Chemical Physics, 2017, 19(7), 5262-5272

Production Method 5

Reaction Conditions
1.1 Reagents: Zinc iodide Catalysts: Cyclohexane
Reference
Zinc(II)-promoted reduction of ketones by 1-methyl-1,4-dihydropyridines
De Koning, A. J.; et al, Recueil des Travaux Chimiques des Pays-Bas, 1980, 99(10), 316-21

1,2-Dimethylpyridin-1-ium Iodide Raw materials

1,2-Dimethylpyridin-1-ium Iodide Preparation Products

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