Benzylcarbamoyl naphthylmethyl lauroylbenzoatemethyl dioxomethylpyrazinopyrimidine

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  • Identifiers

    CAS number
    1351668-35-3

    Molecular formula
    C46H56N4O5

    SMILES
    CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C[C@H]2C(=O)N([C@@H](C3N2C(=O)CCN3C(=O)NCC4=CC=CC=C4)C)CC5=CC=CC6=CC=CC=C65

    Safety labels

  • Odor profile

    Fragrance
    Odorless 42.87%
    Herbal 26.82%
    Savory 26.58%
    Spicy 25.56%
    Animal 25.12%
    Cooling 24.56%
    Fresh 24.08%
    Citrus 22.68%
    Meaty 21.37%
    Milky 20.55%

     

    Flavor
    Bitter 69.93%
    Odorless 29.81%
    Bland 24.24%
    Cedarleaf 20.59%
    Mild 20.34%
    Nitrile 19.37%
    Lovage 19.22%
    Herbal 19.21%
    Heather 18.98%
    Sweet-like 18.92%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    9.8

    pKa est.
    5.21 (weak acid)

    Molecular weight
    745.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1510°C

    Flash point

    • 283.39 ˚C est.

  • Synonyms

    • Asymmtate
    • UNII-A072BZ4KM3
    • A072BZ4KM3
    • Benzylcarbamoyl naphthylmethyl lauroylbenzoatemethyl dioxomethylpyrazinopyrimidine
    • 1351668-35-3
    • Dodecanoic acid, 4-(((6S,9R)-octahydro-9-methyl-8-(1-naphthalenylmethyl)-4,7-dioxo-1-(((phenylmethyl)amino)carbonyl)-2H-pyrazino(1,2-a)pyrimidin-6-yl)methyl)phenyl ester
    • DTXSID30159272
    • Benzylcarbamoyl naphthylmethyl lauroylbenzoatemethyl dioxomethylpyrazinopyrimidine [INCI]
    • RefChem:118933
    • DTXCID0081763
    • Q27273458
    • 4-({(6S,9R)-1-(Benzylcarbamoyl)-9-methyl-8-[(naphthalen-1-yl)methyl]-4,7-dioxooctahydro-2H-pyrazino[1,2-a]pyrimidin-6-yl}methyl)phenyl dodecanoate
    • 1351668-35-3

  • Applications

    CAS 1351668-35-3, Benzylcarbamoyl naphthylmethyl lauroylbenzoatemethyl dioxomethylpyrazinopyrimidine, is primarily used as a synthetic intermediate in medicinal chemistry and the development of agrochemical leads, providing a heterocyclic pyrazinopyrimidine framework for exploratory synthesis in drug and crop research. It may also be evaluated as a fragrance or cosmetics intermediate due to its aromatic substituents, and as a specialty building block or additive in coatings, inks and polymer formulations where such motifs are leveraged. Additionally, the compound could serve as a dye/colorant precursor in materials science applications, enabling incorporation of aromatic chromophores into research formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.77
    methanol 11.36
    isopropanol 3.02
    water 0.07
    ethyl acetate 8.84
    n-propanol 5.25
    acetone 14.22
    n-butanol 4.45
    acetonitrile 5.28
    DMF 28.11
    toluene 5.92
    isobutanol 3.23
    1,4-dioxane 14.77
    methyl acetate 12.28
    THF 25.83
    2-butanone 18.62
    n-pentanol 3.91
    sec-butanol 3.74
    n-hexane 0.12
    ethylene glycol 1.86
    NMP 49.07
    cyclohexane 0.16
    DMSO 15.55
    n-butyl acetate 4.99
    n-octanol 1.66
    chloroform 64.06
    n-propyl acetate 6.09
    acetic acid 24.15
    dichloromethane 51.79
    cyclohexanone 29.66
    propylene glycol 2.36
    isopropyl acetate 4.92
    DMAc 62.08
    2-ethoxyethanol 10.26
    isopentanol 3.29
    n-heptane 0.1
    ethyl formate 10.63
    1,2-dichloroethane 19.87
    n-hexanol 1.94
    2-methoxyethanol 14.19
    isobutyl acetate 3.25
    tetrachloromethane 5.74
    n-pentyl acetate 7.57
    transcutol 16.39
    n-heptanol 2.2
    ethylbenzene 1.98
    MIBK 4.42
    2-propoxyethanol 10.19
    tert-butanol 2.07
    MTBE 2.15
    2-butoxyethanol 9.27
    propionic acid 12.8
    o-xylene 2.93
    formic acid 16.02
    diethyl ether 3.3
    m-xylene 2.57
    p-xylene 2.89
    chlorobenzene 13.34
    dimethyl carbonate 10.12
    n-octane 0.07
    formamide 16.94
    cyclopentanone 35.94
    2-pentanone 11.19
    anisole 4.43
    cyclopentyl methyl ether 6.06
    gamma-butyrolactone 39.04
    1-methoxy-2-propanol 9.04
    pyridine 25.63
    3-pentanone 10.49
    furfural 41.79
    n-dodecane 0.07
    diethylene glycol 7.13
    diisopropyl ether 0.61
    tert-amyl alcohol 2.96
    acetylacetone 14.63
    n-hexadecane 0.08
    acetophenone 8.94
    methyl propionate 11.72
    isopentyl acetate 4.37
    trichloroethylene 66.27
    n-nonanol 1.87
    cyclohexanol 3.92
    benzyl alcohol 8.18
    2-ethylhexanol 1.24
    isooctanol 1.78
    dipropyl ether 1.92
    1,2-dichlorobenzene 10.89
    ethyl lactate 4.77
    propylene carbonate 18.13
    n-methylformamide 17.77
    2-pentanol 2.24
    n-pentane 0.13
    1-propoxy-2-propanol 6.01
    1-methoxy-2-propyl acetate 7.25
    2-(2-methoxypropoxy) propanol 7.07
    mesitylene 1.07
    ε-caprolactone 24.32
    p-cymene 0.92
    epichlorohydrin 43.0
    1,1,1-trichloroethane 16.67
    2-aminoethanol 3.95
    morpholine-4-carbaldehyde 33.84
    sulfolane 38.98
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 10.83
    n-hexyl acetate 5.87
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 9.31
    sec-butyl acetate 3.61
    tert-butyl acetate 3.65
    decalin 0.12
    glycerin 4.88
    diglyme 17.63
    acrylic acid 16.69
    isopropyl myristate 1.78
    n-butyric acid 13.96
    acetyl acetate 8.21
    di(2-ethylhexyl) phthalate 4.04
    ethyl propionate 5.45
    nitromethane 38.16
    1,2-diethoxyethane 5.65
    benzonitrile 8.55
    trioctyl phosphate 2.23
    1-bromopropane 6.4
    gamma-valerolactone 58.42
    n-decanol 1.2
    triethyl phosphate 3.13
    4-methyl-2-pentanol 1.22
    propionitrile 6.54
    vinylene carbonate 23.49
    1,1,2-trichlorotrifluoroethane 41.87
    DMS 7.72
    cumene 1.11
    2-octanol 1.4
    2-hexanone 8.01
    octyl acetate 3.02
    limonene 0.99
    1,2-dimethoxyethane 14.11
    ethyl orthosilicate 2.76
    tributyl phosphate 2.64
    diacetone alcohol 6.45
    N,N-dimethylaniline 2.96
    acrylonitrile 11.27
    aniline 9.47
    1,3-propanediol 6.06
    bromobenzene 12.07
    dibromomethane 22.3
    1,1,2,2-tetrachloroethane 42.37
    2-methyl-cyclohexyl acetate 3.98
    tetrabutyl urea 4.38
    diisobutyl methanol 0.68
    2-phenylethanol 5.63
    styrene 2.68
    dioctyl adipate 3.96
    dimethyl sulfate 16.15
    ethyl butyrate 4.43
    methyl lactate 8.56
    butyl lactate 6.89
    diethyl carbonate 3.36
    propanediol butyl ether 6.27
    triethyl orthoformate 3.78
    p-tert-butyltoluene 0.73
    methyl 4-tert-butylbenzoate 7.87
    morpholine 15.12
    tert-butylamine 0.84
    n-dodecanol 0.81
    dimethoxymethane 16.19
    ethylene carbonate 16.38
    cyrene 12.08
    2-ethoxyethyl acetate 13.62
    2-ethylhexyl acetate 3.67
    1,2,4-trichlorobenzene 15.45
    4-methylpyridine 19.83
    dibutyl ether 1.72
    2,6-dimethyl-4-heptanol 0.68
    DEF 15.13
    dimethyl isosorbide 11.81
    tetrachloroethylene 30.35
    eugenol 8.62
    triacetin 9.26
    span 80 6.42
    1,4-butanediol 3.25
    1,1-dichloroethane 17.3
    2-methyl-1-pentanol 3.46
    methyl formate 17.14
    2-methyl-1-butanol 3.85
    n-decane 0.12
    butyronitrile 5.44
    3,7-dimethyl-1-octanol 1.28
    1-chlorooctane 0.87
    1-chlorotetradecane 0.33
    n-nonane 0.1
    undecane 0.09
    tert-butylcyclohexane 0.09
    cyclooctane 0.06
    cyclopentanol 5.84
    tetrahydropyran 8.24
    tert-amyl methyl ether 2.41
    2,5,8-trioxanonane 11.63
    1-hexene 0.83
    2-isopropoxyethanol 6.58
    2,2,2-trifluoroethanol 14.82
    methyl butyrate 7.97

    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