N1-(2,4-Dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl)oxalamide

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  • Identifiers

    CAS number
    745047-53-4

    Molecular formula
    C18H21N3O4

    SMILES
    COC1=CC(=C(C=C1)CNC(=O)C(=O)NCCC2=CC=CC=N2)OC

    Safety labels

  • Odor profile

    Fragrance
    Odorless 44.87%
    Savory 38.04%
    Meaty 29.99%
    Roasted 27.79%
    Cooling 25.15%
    Cooked 24.34%
    Milky 24.1%
    Grape 19.48%
    Bitter 18.35%
    Sweet 17.96%

     

    Flavor
    Bitter 63.37%
    Odorless 42.38%
    Bland 27.75%
    Mild 22.68%
    Sweet-like 20.94%
    Very mild 20.04%
    Orange flower 19.38%
    Nitrile 19.07%
    Taco 18.75%
    Bread crust 18.74%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    6.68 (neutral)

    Molecular weight
    343.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    699°C

    Melting point expt.

    • 123.00 °C. @ 760.00 mm Hg

    Flash point

    • 237.65 ˚C est.

    Solubility expt.

    • Soluble in non-polar organic solvents; insoluble in water
    • Sparingly soluble (in ethanol)

  • Synonyms

    • 745047-53-4
    • N1-(2,4-DIMETHOXYBENZYL)-N2-(2-(PYRIDIN-2-YL)ETHYL)OXALAMIDE
    • FEMA No. 4233
    • IG3GV1WE4R
    • N1-(2,4-Dimethoxybenzyl)-n2-(2-(pyridin-2-yl) ethyl)oxalamide
    • DTXSID50225504
    • Ethanediamide, N-((2,4-dimethoxyphenyl)methyl)-N'-(2-(2-pyridinyl)ethyl)-
    • Ethanediamide, N1-((2,4-dimethoxyphenyl)methyl)-N2-(2-(2-pyridinyl)ethyl)-
    • N1-(2,4-Dimethoxybenzyl)-n2-(2-(pyridin-2-yl)ethyl)oxalamide [FIFH]
    • N-[(2,4-dimethoxyphenyl)methyl]-N'-[2-(pyridin-2-yl)ethyl]ethanediamide
    • N1-(2,4-DIMETHOXYBENZYL)-N2-(2-(PYRIDIN-2-YL)ETHYL)OXALAMIDE [FHFI]
    • N-((2,4-DIMETHOXYPHENYL)METHYL)-N'-(2-(2-PYRIDINYL)ETHYL)ETHANEDIAMIDE
    • N-((2,4-dimethoxyphenyl)methyl)-N'-(2-(pyridin-2-yl)ethyl)ethanediamide
    • N1-(2,4-Dimethoxybenzyl)-n2-(2-(pyridin-2-yl)ethyl)oxalamide (FIFH)
    • RefChem:831352
    • DTXCID10147995
    • N'-[(2,4-dimethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide
    • Ethanediamide,N1-[(2,4-dimethoxyphenyl)methyl]-N2-[2-(2-pyridinyl)ethyl]-
    • N1-(2,4-DIMETHOXYBENZYL)-N2-(2-PYRIDIN-2-YL)ETHYL)OXALAMIDE
    • UNII-IG3GV1WE4R
    • SCHEMBL702030
    • SCHEMBL30064606
    • SCHEMBL30645001
    • CHEBI:168883
    • HETCYFFYGYGQSP-UHFFFAOYSA-N
    • XH1512
    • AKOS027331228
    • AC-30886
    • DB-091985
    • NS00121883
    • Q27280704
    • N~1~-[(2,4-Dimethoxyphenyl)methyl]-N~2~-[2-(pyridin-2-yl)ethyl]ethanediamide
    • 745047-53-4

  • Applications

    N1-(2,4-Dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl)oxalamide (CAS number: 745047-53-4) is used primarily as a synthetic intermediate and building block in pharmaceutical and fine-chemical research, enabling the construction of amide-containing small molecules for medicinal chemistry programs; it can also function as a protecting-group-bearing scaffold derived from the 2,4-dimethoxybenzyl moiety in multi-step syntheses; it may serve as a precursor or starting point for ligand design in homogeneous catalysis; and it is evaluated as a versatile reagent in library generation and SAR exploration. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.36
    methanol 10.54
    isopropanol 3.68
    water 0.49
    ethyl acetate 6.55
    n-propanol 5.69
    acetone 14.85
    n-butanol 4.51
    acetonitrile 5.96
    DMF 41.47
    toluene 4.25
    isobutanol 3.67
    1,4-dioxane 12.12
    methyl acetate 7.7
    THF 32.43
    2-butanone 13.23
    n-pentanol 3.95
    sec-butanol 4.65
    n-hexane 0.17
    ethylene glycol 7.08
    NMP 48.28
    cyclohexane 0.34
    DMSO 181.66
    n-butyl acetate 1.88
    n-octanol 0.91
    chloroform 15.57
    n-propyl acetate 2.65
    acetic acid 37.4
    dichloromethane 27.41
    cyclohexanone 24.6
    propylene glycol 6.68
    isopropyl acetate 3.01
    DMAc 121.7
    2-ethoxyethanol 21.56
    isopentanol 3.61
    n-heptane 0.18
    ethyl formate 6.59
    1,2-dichloroethane 18.15
    n-hexanol 2.19
    2-methoxyethanol 31.37
    isobutyl acetate 1.21
    tetrachloromethane 2.17
    n-pentyl acetate 1.87
    transcutol 26.15
    n-heptanol 1.72
    ethylbenzene 1.48
    MIBK 3.6
    2-propoxyethanol 10.58
    tert-butanol 4.39
    MTBE 2.24
    2-butoxyethanol 6.45
    propionic acid 10.96
    o-xylene 3.12
    formic acid 46.44
    diethyl ether 2.98
    m-xylene 2.14
    p-xylene 1.8
    chlorobenzene 4.79
    dimethyl carbonate 8.03
    n-octane 0.1
    formamide 66.62
    cyclopentanone 30.61
    2-pentanone 8.13
    anisole 3.47
    cyclopentyl methyl ether 6.9
    gamma-butyrolactone 32.77
    1-methoxy-2-propanol 14.87
    pyridine 18.24
    3-pentanone 8.86
    furfural 35.33
    n-dodecane 0.07
    diethylene glycol 16.98
    diisopropyl ether 0.68
    tert-amyl alcohol 5.25
    acetylacetone 13.42
    n-hexadecane 0.08
    acetophenone 6.63
    methyl propionate 9.82
    isopentyl acetate 2.07
    trichloroethylene 34.03
    n-nonanol 1.08
    cyclohexanol 6.75
    benzyl alcohol 7.84
    2-ethylhexanol 1.45
    isooctanol 1.45
    dipropyl ether 1.87
    1,2-dichlorobenzene 4.9
    ethyl lactate 4.41
    propylene carbonate 10.9
    n-methylformamide 21.12
    2-pentanol 2.49
    n-pentane 0.16
    1-propoxy-2-propanol 5.66
    1-methoxy-2-propyl acetate 5.23
    2-(2-methoxypropoxy) propanol 8.49
    mesitylene 1.06
    ε-caprolactone 16.06
    p-cymene 1.02
    epichlorohydrin 36.9
    1,1,1-trichloroethane 6.06
    2-aminoethanol 9.65
    morpholine-4-carbaldehyde 31.14
    sulfolane 64.63
    2,2,4-trimethylpentane 0.15
    2-methyltetrahydrofuran 11.24
    n-hexyl acetate 1.94
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 9.9
    sec-butyl acetate 1.69
    tert-butyl acetate 3.06
    decalin 0.2
    glycerin 19.93
    diglyme 20.63
    acrylic acid 16.42
    isopropyl myristate 0.97
    n-butyric acid 9.92
    acetyl acetate 6.06
    di(2-ethylhexyl) phthalate 2.45
    ethyl propionate 3.74
    nitromethane 52.36
    1,2-diethoxyethane 4.14
    benzonitrile 5.86
    trioctyl phosphate 1.41
    1-bromopropane 4.32
    gamma-valerolactone 39.23
    n-decanol 0.85
    triethyl phosphate 3.2
    4-methyl-2-pentanol 1.28
    propionitrile 5.11
    vinylene carbonate 11.29
    1,1,2-trichlorotrifluoroethane 47.79
    DMS 4.47
    cumene 0.94
    2-octanol 0.9
    2-hexanone 4.15
    octyl acetate 1.43
    limonene 1.44
    1,2-dimethoxyethane 19.98
    ethyl orthosilicate 2.77
    tributyl phosphate 1.81
    diacetone alcohol 8.32
    N,N-dimethylaniline 3.4
    acrylonitrile 9.53
    aniline 10.04
    1,3-propanediol 12.61
    bromobenzene 3.87
    dibromomethane 12.09
    1,1,2,2-tetrachloroethane 24.15
    2-methyl-cyclohexyl acetate 2.88
    tetrabutyl urea 3.05
    diisobutyl methanol 0.93
    2-phenylethanol 4.58
    styrene 1.67
    dioctyl adipate 2.58
    dimethyl sulfate 23.23
    ethyl butyrate 2.82
    methyl lactate 10.71
    butyl lactate 3.07
    diethyl carbonate 2.66
    propanediol butyl ether 4.87
    triethyl orthoformate 2.86
    p-tert-butyltoluene 0.87
    methyl 4-tert-butylbenzoate 6.08
    morpholine 18.22
    tert-butylamine 1.56
    n-dodecanol 0.66
    dimethoxymethane 20.67
    ethylene carbonate 8.91
    cyrene 15.33
    2-ethoxyethyl acetate 4.4
    2-ethylhexyl acetate 1.64
    1,2,4-trichlorobenzene 7.1
    4-methylpyridine 12.52
    dibutyl ether 1.07
    2,6-dimethyl-4-heptanol 0.93
    DEF 14.77
    dimethyl isosorbide 13.22
    tetrachloroethylene 18.63
    eugenol 6.66
    triacetin 4.9
    span 80 5.11
    1,4-butanediol 7.32
    1,1-dichloroethane 6.99
    2-methyl-1-pentanol 3.59
    methyl formate 17.15
    2-methyl-1-butanol 4.28
    n-decane 0.12
    butyronitrile 4.02
    3,7-dimethyl-1-octanol 0.97
    1-chlorooctane 0.52
    1-chlorotetradecane 0.25
    n-nonane 0.1
    undecane 0.09
    tert-butylcyclohexane 0.14
    cyclooctane 0.14
    cyclopentanol 7.9
    tetrahydropyran 8.3
    tert-amyl methyl ether 3.11
    2,5,8-trioxanonane 16.4
    1-hexene 0.75
    2-isopropoxyethanol 9.33
    2,2,2-trifluoroethanol 23.8
    methyl butyrate 4.95

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction