N1-(2,3-Dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide

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  • Identifiers

    CAS number
    851670-40-1

    Molecular formula
    C18H21N3O4

    SMILES
    COC1=CC=CC(=C1OC)CNC(=O)C(=O)NCCC2=CC=CC=N2

  • Odor profile

    Fragrance
    Odorless 45.1%
    Savory 39.37%
    Meaty 31.3%
    Roasted 27.41%
    Cooling 24.95%
    Cooked 24.73%
    Milky 24.69%
    Burnt 18.08%
    Bitter 17.67%
    Dairy 16.78%

     

    Flavor
    Bitter 61.93%
    Odorless 42.19%
    Bland 28.6%
    Mild 22.49%
    Sweet-like 20.9%
    Very mild 19.93%
    Orange flower 19.3%
    Nitrile 18.97%
    Bread crust 18.7%
    Taco 18.65%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    7.26 (neutral)

    Molecular weight
    343.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    724°C

    Flash point

    • 232.27 ˚C est.

    Solubility expt.

    • Practically insoluble to insoluble
    • Soluble (in ethanol)

  • Synonyms

    • Fema No. 4741
    • SXR00332E2
    • UNII-SXR00332E2
    • 851670-40-1
    • N1-(2,3-Dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide
    • Ethanediamide, N1-((2,3-dimethoxyphenyl)methyl)-N2- (2-(2-pyridinyl)ethyl)-
    • SCHEMBL702615
    • NHANILBHDFUGPP-UHFFFAOYSA-N
    • N-(2,3-Dimethoxybenzyl)-N'-(2-(Pyridin-2-yl)ethyl)oxalamide
    • ETHANEDIAMIDE, N1-((2,3-DIMETHOXYPHENYL)METHYL)-N2-(2-(2-PYRIDINYL)ETHYL)-

  • Applications

    N1-(2,3-Dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide, CAS 851670-40-1, is viewed as a useful intermediate and scaffold for organic synthesis, aiding pharmaceutical development and fine chemicals manufacturing. In pharmaceutical and chemical development, it can serve as a building block for heteroaryl- and aryl-substituted compounds and for structure-activity relationship (SAR) exploration; the 2,3-dimethoxybenzyl group can function as an amine-protecting group in protective-strategy workflows. Additionally, the di-substituted oxalamide framework may be used as a precursor for ligand design or metal-catalyst development, and may be explored as a component scaffold for advanced materials such as polyamides or specialty polymers, subject to applicable formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.77
    methanol 12.29
    isopropanol 4.26
    water 1.69
    ethyl acetate 8.19
    n-propanol 5.93
    acetone 16.2
    n-butanol 5.04
    acetonitrile 8.5
    DMF 38.54
    toluene 3.34
    isobutanol 4.34
    1,4-dioxane 10.98
    methyl acetate 8.42
    THF 18.45
    2-butanone 12.01
    n-pentanol 4.68
    sec-butanol 5.3
    n-hexane 0.33
    ethylene glycol 9.86
    NMP 38.1
    cyclohexane 0.47
    DMSO 109.63
    n-butyl acetate 4.1
    n-octanol 1.99
    chloroform 18.22
    n-propyl acetate 4.27
    acetic acid 33.69
    dichloromethane 29.26
    cyclohexanone 20.85
    propylene glycol 5.85
    isopropyl acetate 4.81
    DMAc 71.59
    2-ethoxyethanol 19.36
    isopentanol 4.64
    n-heptane 0.41
    ethyl formate 8.09
    1,2-dichloroethane 19.9
    n-hexanol 4.1
    2-methoxyethanol 26.74
    isobutyl acetate 2.17
    tetrachloromethane 3.43
    n-pentyl acetate 4.27
    transcutol 26.38
    n-heptanol 3.49
    ethylbenzene 1.97
    MIBK 5.91
    2-propoxyethanol 14.8
    tert-butanol 5.32
    MTBE 3.33
    2-butoxyethanol 10.64
    propionic acid 12.04
    o-xylene 3.57
    formic acid 41.67
    diethyl ether 4.57
    m-xylene 2.61
    p-xylene 2.13
    chlorobenzene 5.39
    dimethyl carbonate 11.49
    n-octane 0.25
    formamide 53.72
    cyclopentanone 25.16
    2-pentanone 9.79
    anisole 4.24
    cyclopentyl methyl ether 6.87
    gamma-butyrolactone 28.56
    1-methoxy-2-propanol 15.25
    pyridine 12.5
    3-pentanone 10.58
    furfural 32.65
    n-dodecane 0.18
    diethylene glycol 22.36
    diisopropyl ether 1.31
    tert-amyl alcohol 6.72
    acetylacetone 15.81
    n-hexadecane 0.21
    acetophenone 8.26
    methyl propionate 12.08
    isopentyl acetate 4.11
    trichloroethylene 35.11
    n-nonanol 2.3
    cyclohexanol 6.15
    benzyl alcohol 7.8
    2-ethylhexanol 2.74
    isooctanol 2.89
    dipropyl ether 3.3
    1,2-dichlorobenzene 6.63
    ethyl lactate 6.75
    propylene carbonate 12.55
    n-methylformamide 22.24
    2-pentanol 3.54
    n-pentane 0.35
    1-propoxy-2-propanol 9.18
    1-methoxy-2-propyl acetate 8.96
    2-(2-methoxypropoxy) propanol 11.2
    mesitylene 1.52
    ε-caprolactone 15.58
    p-cymene 1.84
    epichlorohydrin 30.52
    1,1,1-trichloroethane 8.42
    2-aminoethanol 10.27
    morpholine-4-carbaldehyde 28.9
    sulfolane 58.41
    2,2,4-trimethylpentane 0.31
    2-methyltetrahydrofuran 8.54
    n-hexyl acetate 4.14
    isooctane 0.15
    2-(2-butoxyethoxy)ethanol 12.65
    sec-butyl acetate 2.72
    tert-butyl acetate 5.33
    decalin 0.35
    glycerin 20.17
    diglyme 25.98
    acrylic acid 18.09
    isopropyl myristate 1.97
    n-butyric acid 11.88
    acetyl acetate 7.95
    di(2-ethylhexyl) phthalate 4.17
    ethyl propionate 5.68
    nitromethane 49.85
    1,2-diethoxyethane 6.72
    benzonitrile 6.82
    trioctyl phosphate 2.85
    1-bromopropane 5.4
    gamma-valerolactone 33.34
    n-decanol 1.82
    triethyl phosphate 4.81
    4-methyl-2-pentanol 2.28
    propionitrile 6.52
    vinylene carbonate 15.17
    1,1,2-trichlorotrifluoroethane 46.14
    DMS 7.73
    cumene 1.48
    2-octanol 2.1
    2-hexanone 5.79
    octyl acetate 2.99
    limonene 2.47
    1,2-dimethoxyethane 20.75
    ethyl orthosilicate 4.29
    tributyl phosphate 3.3
    diacetone alcohol 12.29
    N,N-dimethylaniline 4.35
    acrylonitrile 11.05
    aniline 7.12
    1,3-propanediol 12.2
    bromobenzene 4.48
    dibromomethane 14.81
    1,1,2,2-tetrachloroethane 25.43
    2-methyl-cyclohexyl acetate 4.58
    tetrabutyl urea 5.35
    diisobutyl methanol 1.92
    2-phenylethanol 6.66
    styrene 2.04
    dioctyl adipate 4.53
    dimethyl sulfate 30.26
    ethyl butyrate 4.82
    methyl lactate 13.18
    butyl lactate 5.92
    diethyl carbonate 4.08
    propanediol butyl ether 7.94
    triethyl orthoformate 4.43
    p-tert-butyltoluene 1.61
    methyl 4-tert-butylbenzoate 10.15
    morpholine 13.54
    tert-butylamine 2.42
    n-dodecanol 1.43
    dimethoxymethane 24.71
    ethylene carbonate 11.16
    cyrene 17.64
    2-ethoxyethyl acetate 8.26
    2-ethylhexyl acetate 3.19
    1,2,4-trichlorobenzene 8.56
    4-methylpyridine 9.58
    dibutyl ether 2.15
    2,6-dimethyl-4-heptanol 1.92
    DEF 16.36
    dimethyl isosorbide 17.88
    tetrachloroethylene 20.97
    eugenol 10.34
    triacetin 8.48
    span 80 7.51
    1,4-butanediol 8.06
    1,1-dichloroethane 8.1
    2-methyl-1-pentanol 4.52
    methyl formate 19.54
    2-methyl-1-butanol 5.24
    n-decane 0.31
    butyronitrile 5.41
    3,7-dimethyl-1-octanol 2.02
    1-chlorooctane 1.3
    1-chlorotetradecane 0.62
    n-nonane 0.27
    undecane 0.23
    tert-butylcyclohexane 0.26
    cyclooctane 0.24
    cyclopentanol 6.37
    tetrahydropyran 6.59
    tert-amyl methyl ether 4.53
    2,5,8-trioxanonane 19.81
    1-hexene 1.19
    2-isopropoxyethanol 10.12
    2,2,2-trifluoroethanol 30.38
    methyl butyrate 7.01

    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