7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one

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  • Identifiers

    CAS number
    76884-47-4

    Molecular formula
    C8H10N2O

    SMILES
    CC1=CN2CCCC2=NC1=O

    Safety labels

  • Odor profile

    Fragrance
    Roasted 41.36%
    Nutty 40.86%
    Popcorn 35.94%
    Burnt 32.92%
    Odorless 31.99%
    Musty 24.98%
    Sweet 24.78%
    Animal 24.24%
    Bitter 23.26%
    Caramellic 21.16%

     

    Flavor
    Bitter 87.9%
    Odorless 23.92%
    Bread crust 21.01%
    Cedarleaf 20.93%
    Cereal 20.7%
    Very strong 20.33%
    Lovage 19.93%
    Indole 19.82%
    Taco 19.6%
    Nitrile 19.57%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    -0.1

    pKa est.
    6.23 (neutral)

    Molecular weight
    150.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    329°C

    Flash point

    • 133.01 ˚C est.

  • Synonyms

    • 76884-47-4
    • 7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one
    • 3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
    • 3-Methyl-7,8-dihydropyrrolo[1,2-a]pyrimidin-2(6H)-one
    • ADR3GP2GVZ
    • 3-methyl-2H,6H,7H,8H-pyrrolo[1,2-a]pyrimidin-2-one
    • SCHEMBL11087009
    • DTXSID50415761
    • CHEBI:173402
    • AG-H-07031
    • Pyrrolo[1,2-a]pyrimidin-2(6H)-one, 7,8-dihydro-3-methyl-
    • 76884-47-4

  • Applications

    7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one (CAS 76884-47-4) is primarily used as a synthetic intermediate and building block in pharmaceutical research, providing a heterocyclic core for drug discovery and serving as a scaffold for library generation of potential lead compounds. It may be employed in multi-step routes toward active pharmaceutical ingredients and related fine chemicals, acting as a versatile precursor in medicinal chemistry workflows. In addition, the compound can function as an analytical reference material or starting point for method development in quality control and process verification within chemical supply chains. Depending on regional regulations, it may be used in academic or contract research settings for exploratory studies of structure-activity relationships.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 77.01
    methanol 124.83
    isopropanol 62.83
    water 8.73
    ethyl acetate 42.6
    n-propanol 63.29
    acetone 71.49
    n-butanol 52.46
    acetonitrile 50.8
    DMF 160.99
    toluene 31.04
    isobutanol 58.7
    1,4-dioxane 97.98
    methyl acetate 55.3
    THF 95.43
    2-butanone 67.48
    n-pentanol 50.94
    sec-butanol 56.24
    n-hexane 1.59
    ethylene glycol 72.43
    NMP 119.93
    cyclohexane 1.41
    DMSO 137.77
    n-butyl acetate 44.67
    n-octanol 32.8
    chloroform 185.73
    n-propyl acetate 38.55
    acetic acid 75.44
    dichloromethane 196.93
    cyclohexanone 85.48
    propylene glycol 65.99
    isopropyl acetate 32.62
    DMAc 138.09
    2-ethoxyethanol 110.97
    isopentanol 56.25
    n-heptane 1.74
    ethyl formate 58.11
    1,2-dichloroethane 102.01
    n-hexanol 49.58
    2-methoxyethanol 158.36
    isobutyl acetate 33.18
    tetrachloromethane 26.28
    n-pentyl acetate 40.59
    transcutol 172.13
    n-heptanol 34.47
    ethylbenzene 23.16
    MIBK 45.01
    2-propoxyethanol 113.53
    tert-butanol 63.2
    MTBE 39.0
    2-butoxyethanol 80.42
    propionic acid 57.91
    o-xylene 28.26
    formic acid 82.81
    diethyl ether 25.98
    m-xylene 30.86
    p-xylene 33.73
    chlorobenzene 68.37
    dimethyl carbonate 33.91
    n-octane 1.75
    formamide 83.08
    cyclopentanone 107.25
    2-pentanone 49.33
    anisole 49.37
    cyclopentyl methyl ether 39.76
    gamma-butyrolactone 123.98
    1-methoxy-2-propanol 107.67
    pyridine 92.37
    3-pentanone 36.36
    furfural 176.82
    n-dodecane 2.48
    diethylene glycol 132.55
    diisopropyl ether 11.21
    tert-amyl alcohol 56.58
    acetylacetone 68.67
    n-hexadecane 2.81
    acetophenone 63.03
    methyl propionate 45.41
    isopentyl acetate 50.44
    trichloroethylene 203.34
    n-nonanol 29.07
    cyclohexanol 38.84
    benzyl alcohol 68.7
    2-ethylhexanol 30.19
    isooctanol 31.59
    dipropyl ether 16.38
    1,2-dichlorobenzene 71.79
    ethyl lactate 42.43
    propylene carbonate 85.19
    n-methylformamide 97.78
    2-pentanol 35.29
    n-pentane 1.67
    1-propoxy-2-propanol 67.57
    1-methoxy-2-propyl acetate 58.55
    2-(2-methoxypropoxy) propanol 72.45
    mesitylene 20.4
    ε-caprolactone 79.36
    p-cymene 19.54
    epichlorohydrin 160.77
    1,1,1-trichloroethane 73.51
    2-aminoethanol 84.06
    morpholine-4-carbaldehyde 153.33
    sulfolane 148.02
    2,2,4-trimethylpentane 2.97
    2-methyltetrahydrofuran 67.76
    n-hexyl acetate 52.75
    isooctane 2.41
    2-(2-butoxyethoxy)ethanol 91.85
    sec-butyl acetate 29.1
    tert-butyl acetate 36.35
    decalin 3.47
    glycerin 107.37
    diglyme 135.44
    acrylic acid 70.99
    isopropyl myristate 23.07
    n-butyric acid 63.94
    acetyl acetate 34.26
    di(2-ethylhexyl) phthalate 38.83
    ethyl propionate 31.8
    nitromethane 107.68
    1,2-diethoxyethane 47.22
    benzonitrile 83.7
    trioctyl phosphate 25.82
    1-bromopropane 43.01
    gamma-valerolactone 154.76
    n-decanol 23.08
    triethyl phosphate 24.86
    4-methyl-2-pentanol 29.92
    propionitrile 48.84
    vinylene carbonate 94.31
    1,1,2-trichlorotrifluoroethane 130.74
    DMS 52.38
    cumene 20.76
    2-octanol 26.61
    2-hexanone 42.37
    octyl acetate 31.18
    limonene 20.53
    1,2-dimethoxyethane 110.39
    ethyl orthosilicate 24.12
    tributyl phosphate 30.03
    diacetone alcohol 62.87
    N,N-dimethylaniline 42.0
    acrylonitrile 79.93
    aniline 50.75
    1,3-propanediol 90.19
    bromobenzene 65.79
    dibromomethane 109.22
    1,1,2,2-tetrachloroethane 145.89
    2-methyl-cyclohexyl acetate 37.37
    tetrabutyl urea 37.55
    diisobutyl methanol 20.92
    2-phenylethanol 65.51
    styrene 24.93
    dioctyl adipate 32.38
    dimethyl sulfate 65.27
    ethyl butyrate 29.93
    methyl lactate 52.82
    butyl lactate 47.15
    diethyl carbonate 25.42
    propanediol butyl ether 79.61
    triethyl orthoformate 26.94
    p-tert-butyltoluene 17.93
    methyl 4-tert-butylbenzoate 59.91
    morpholine 90.52
    tert-butylamine 32.87
    n-dodecanol 18.33
    dimethoxymethane 82.6
    ethylene carbonate 69.61
    cyrene 82.17
    2-ethoxyethyl acetate 58.33
    2-ethylhexyl acetate 39.12
    1,2,4-trichlorobenzene 83.22
    4-methylpyridine 94.22
    dibutyl ether 20.33
    2,6-dimethyl-4-heptanol 20.92
    DEF 62.08
    dimethyl isosorbide 96.64
    tetrachloroethylene 100.23
    eugenol 79.57
    triacetin 50.01
    span 80 57.77
    1,4-butanediol 65.57
    1,1-dichloroethane 86.13
    2-methyl-1-pentanol 54.31
    methyl formate 87.41
    2-methyl-1-butanol 55.83
    n-decane 3.28
    butyronitrile 52.98
    3,7-dimethyl-1-octanol 33.94
    1-chlorooctane 17.0
    1-chlorotetradecane 8.57
    n-nonane 2.64
    undecane 2.82
    tert-butylcyclohexane 4.02
    cyclooctane 1.01
    cyclopentanol 51.78
    tetrahydropyran 46.57
    tert-amyl methyl ether 32.03
    2,5,8-trioxanonane 100.41
    1-hexene 9.22
    2-isopropoxyethanol 80.03
    2,2,2-trifluoroethanol 56.03
    methyl butyrate 46.29

    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