Cas no 82257-15-6 (4-methoxypyridine-3-carbaldehyde)

4-methoxypyridine-3-carbaldehyde structure
82257-15-6 structure
Product Name:4-methoxypyridine-3-carbaldehyde
CAS No:82257-15-6
MF:C7H7NO2
MW:137.135981798172
MDL:MFCD04112505
CID:60421
PubChem ID:11332503
Update Time:2024-10-27

4-methoxypyridine-3-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 4-Methoxypyridine-3-carboxaldehyde
    • 3-Formyl-4-methoxypyridine
    • 4-Methoxy-3-pyridinecarboxaldehyde
    • 4-Methoxynicotinaldehyde
    • 4-Methoxypyridine-3-
    • 4-methoxypyridine-3-carbaldehyde
    • 4-Methoxy-pyridine-3-carbaldehyde
    • 4-Methoxy-3-pyridinecarboxaldehyde (ACI)
    • AKOS005264537
    • 4-methoxynicotinaldehyde;4-Methoxypyridine-3-carboxaldehyde
    • AB17569
    • SCHEMBL1605930
    • 4-methoxy-3-formoylpyridine
    • BDBM92855
    • BB 0260211
    • 4-methoxy-pyridine-3-carbaldehye
    • 4-Methoxynicotinaldehyde, AldrichCPR
    • FT-0646580
    • QWUFIMUCFQUBOT-UHFFFAOYSA-N
    • 4-Methoxy-3-pyridine carboxaldehyde
    • DTXSID40462547
    • EN300-112298
    • CS-D0961
    • AMY15253
    • pyridine-4-methoxy-3-carboxaldehyde
    • Nicotinamidase Inhibitor, 22
    • J-512573
    • 82257-15-6
    • MFCD04112505
    • AC-14827
    • DS-11177
    • 3-PYRIDINECARBOXALDEHYDE, 4-METHOXY-
    • DB-025066
    • pyridine4-methoxy-3-carboxaldehyde;4-methoxynicotinaldehyde
    • 4-Methoxy-3-formylpyridine
    • MDL: MFCD04112505
    • Inchi: 1S/C7H7NO2/c1-10-7-2-3-8-4-6(7)5-9/h2-5H,1H3
    • InChI Key: QWUFIMUCFQUBOT-UHFFFAOYSA-N
    • SMILES: O=CC1C(OC)=CC=NC=1

Computed Properties

  • Exact Mass: 137.04800
  • Monoisotopic Mass: 137.047678466g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 116
  • 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: 0.3
  • Topological Polar Surface Area: 39.2?2

Experimental Properties

  • Color/Form: Yellowish solid
  • Density: 1.159
  • Melting Point: 63-67°C
  • Boiling Point: 262.9°C at 760 mmHg
  • Flash Point: 112.8 oC
  • Refractive Index: 1.551
  • PSA: 39.19000
  • LogP: 0.90270

4-methoxypyridine-3-carbaldehyde Security Information

4-methoxypyridine-3-carbaldehyde 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%

4-methoxypyridine-3-carbaldehyde Pricemore >>

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4-methoxypyridine-3-carbaldehyde Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Mesityl bromide ,  tert-Butyllithium Solvents: Pentane ,  Tetrahydrofuran ;  1 h, -78 °C
1.2 1 h, -78 °C; 1 h, -23 °C; 1 h, rt; rt → -78 °C
1.3 -78 °C; 1 h, -78 °C
1.4 Reagents: Sodium bicarbonate Solvents: Water ;  -78 °C
Reference
Characterization of Nicotinamidases: Steady State Kinetic Parameters, Classwide Inhibition by Nicotinaldehydes, and Catalytic Mechanism
French, Jarrod B.; et al, Biochemistry, 2010, 49(49), 10421-10439

Production Method 2

Reaction Conditions
1.1 Reagents: (2,4,6-Trimethylphenyl)lithium Solvents: Tetrahydrofuran
1.2 Reagents: Dimethylformamide
Reference
Ortho lithiation of 2-, 3-, and 4-methoxypyridines
Comins, Daniel L.; et al, Tetrahedron Letters, 1988, 29(7), 773-6

Production Method 3

Reaction Conditions
1.1 Reagents: Hydrochloric acid
2.1 Reagents: Lithium diisopropylamide Solvents: Tetrahydrofuran ,  Hexane
2.2 Solvents: Tetrahydrofuran ,  Hexane
3.1 Solvents: Methanol
Reference
Directed lithiation of 4-halopyridines: chemoselectivity, regioselectivity and application to synthesis
Marsais, F.; et al, Journal of Heterocyclic Chemistry, 1988, 25(1), 81-7

Production Method 4

Reaction Conditions
1.1 Solvents: Methanol
Reference
Directed lithiation of 4-halopyridines: chemoselectivity, regioselectivity and application to synthesis
Marsais, F.; et al, Journal of Heterocyclic Chemistry, 1988, 25(1), 81-7

Production Method 5

Reaction Conditions
1.1 Reagents: Mesityl bromide ,  tert-Butyllithium Solvents: Pentane ,  Tetrahydrofuran
1.2 Solvents: Pentane ,  Tetrahydrofuran
Reference
Lithiation of methoxypyridines directed by α-amino alkoxides
Comins, Daniel L.; et al, Journal of Organic Chemistry, 1990, 55(1), 69-73

Production Method 6

Reaction Conditions
Reference
Product subclass 14: aryllithium and hetaryllithium compounds
Gribble, Gordon W., Science of Synthesis, 2006, 8, 357-426

Production Method 7

Reaction Conditions
1.1 Reagents: Lithium diisopropylamide Solvents: Tetrahydrofuran ,  Hexane
1.2 Solvents: Tetrahydrofuran ,  Hexane
2.1 Solvents: Methanol
Reference
Directed lithiation of 4-halopyridines: chemoselectivity, regioselectivity and application to synthesis
Marsais, F.; et al, Journal of Heterocyclic Chemistry, 1988, 25(1), 81-7

4-methoxypyridine-3-carbaldehyde Raw materials

4-methoxypyridine-3-carbaldehyde Preparation Products

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