6,7-Dihydro-7-methyl-5H-benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline

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  • Identifiers

    CAS number
    36285-03-7

    Molecular formula
    C18H15NO2

    SMILES
    CN1CCC2=CC3=C(C4=C2C1=CC5=CC=CC=C54)OCO3

    Safety labels

  • Odor profile

    Fragrance
    Floral 41.2%
    Animal 40.18%
    Musk 34.66%
    Fruity 31.6%
    Sweet 28.91%
    Powdery 27.4%
    Phenolic 25.25%
    Neroli 22.55%
    Odorless 20.83%
    Honey 19.32%

     

    Flavor
    Bitter 95.52%
    Animal 19.25%
    Very strong 18.96%
    Indole 18.68%
    Cedarleaf 18.29%
    Cereal 18.08%
    Sweet-like 17.49%
    Alkaline 17.37%
    Parsley 17.3%
    Moth ball 17.08%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    5.77 (weak acid)

    Molecular weight
    277.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    572°C

    Melting point expt.

    • 88 - 89 °C

    Flash point

    • 219.31 ˚C est.

  • Synonyms

    • Dehydroroemerine
    • 36285-03-7
    • NM8T4WQ4VZ
    • 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7-dihydro-7-methyl-
    • 5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline, 6,7-dihydro-7-methyl-
    • 6,7-Dihydro-7-methyl-5H-benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline
    • 6,7-Dihydro-7-methyl-5H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline
    • RefChem:913682
    • Dehydroaporheine
    • 11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,12,14,16,18-heptaene
    • Dehydroremerine
    • 6a,7-Didehydroaporheine
    • CHEMBL1171263
    • DTXSID60957662
    • CHEBI:185629
    • BDBM50366292
    • FD165743
    • 7-Methyl-6,7-dihydro-2H,5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoline
    • 11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0^{2,6}.0^{8,20}.0^{14,19}]icosa-1,6,8(20),12,14,16,18-heptaene
    • 36285-03-7

  • Applications

    6,7-Dihydro-7-methyl-5H-benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline (CAS 36285-03-7) is primarily used as a synthetic intermediate in medicinal chemistry, providing a quinoline-benzodioxole framework that supports the development of heterocyclic pharmacophores in drug discovery programs. It is commonly evaluated as a building block for routes to more complex quinoline-based scaffolds and related pharmacophores. In industrial contexts, the compound may be employed as a starting material for the synthesis of specialty chemicals, including dye or pigment precursors and materials for organic electronics and coatings/inks. It can also serve as a versatile linkage unit in the preparation of functionalized polymers or optoelectronic materials, depending on formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.14
    methanol 4.73
    isopropanol 3.02
    water 0.02
    ethyl acetate 12.08
    n-propanol 5.5
    acetone 18.52
    n-butanol 5.47
    acetonitrile 4.83
    DMF 41.91
    toluene 10.02
    isobutanol 4.4
    1,4-dioxane 31.45
    methyl acetate 14.24
    THF 41.23
    2-butanone 18.46
    n-pentanol 6.26
    sec-butanol 2.29
    n-hexane 0.15
    ethylene glycol 3.77
    NMP 38.17
    cyclohexane 0.69
    DMSO 27.16
    n-butyl acetate 20.35
    n-octanol 6.57
    chloroform 64.02
    n-propyl acetate 20.51
    acetic acid 13.98
    dichloromethane 69.18
    cyclohexanone 44.37
    propylene glycol 1.61
    isopropyl acetate 12.54
    DMAc 45.49
    2-ethoxyethanol 17.68
    isopentanol 7.77
    n-heptane 0.45
    ethyl formate 18.24
    1,2-dichloroethane 45.79
    n-hexanol 9.28
    2-methoxyethanol 22.07
    isobutyl acetate 22.09
    tetrachloromethane 6.87
    n-pentyl acetate 22.75
    transcutol 41.65
    n-heptanol 9.66
    ethylbenzene 7.32
    MIBK 14.23
    2-propoxyethanol 29.32
    tert-butanol 3.88
    MTBE 3.18
    2-butoxyethanol 24.74
    propionic acid 9.02
    o-xylene 7.88
    formic acid 6.34
    diethyl ether 4.77
    m-xylene 7.91
    p-xylene 12.03
    chlorobenzene 20.26
    dimethyl carbonate 17.61
    n-octane 0.46
    formamide 12.37
    cyclopentanone 49.75
    2-pentanone 14.26
    anisole 16.1
    cyclopentyl methyl ether 12.79
    gamma-butyrolactone 49.76
    1-methoxy-2-propanol 11.79
    pyridine 46.17
    3-pentanone 11.94
    furfural 67.33
    n-dodecane 0.66
    diethylene glycol 27.12
    diisopropyl ether 2.43
    tert-amyl alcohol 2.86
    acetylacetone 24.21
    n-hexadecane 0.8
    acetophenone 28.25
    methyl propionate 13.39
    isopentyl acetate 24.49
    trichloroethylene 98.92
    n-nonanol 7.74
    cyclohexanol 6.44
    benzyl alcohol 20.47
    2-ethylhexanol 8.87
    isooctanol 9.53
    dipropyl ether 6.86
    1,2-dichlorobenzene 25.0
    ethyl lactate 12.17
    propylene carbonate 31.11
    n-methylformamide 17.07
    2-pentanol 2.48
    n-pentane 0.18
    1-propoxy-2-propanol 15.37
    1-methoxy-2-propyl acetate 25.05
    2-(2-methoxypropoxy) propanol 21.65
    mesitylene 5.26
    ε-caprolactone 34.98
    p-cymene 8.42
    epichlorohydrin 67.87
    1,1,1-trichloroethane 22.82
    2-aminoethanol 4.93
    morpholine-4-carbaldehyde 53.04
    sulfolane 49.82
    2,2,4-trimethylpentane 0.24
    2-methyltetrahydrofuran 15.73
    n-hexyl acetate 20.67
    isooctane 0.26
    2-(2-butoxyethoxy)ethanol 25.9
    sec-butyl acetate 14.41
    tert-butyl acetate 13.66
    decalin 0.93
    glycerin 6.63
    diglyme 51.73
    acrylic acid 13.18
    isopropyl myristate 10.74
    n-butyric acid 13.9
    acetyl acetate 15.81
    di(2-ethylhexyl) phthalate 15.79
    ethyl propionate 14.74
    nitromethane 27.1
    1,2-diethoxyethane 19.42
    benzonitrile 27.17
    trioctyl phosphate 10.83
    1-bromopropane 10.14
    gamma-valerolactone 76.85
    n-decanol 6.1
    triethyl phosphate 15.88
    4-methyl-2-pentanol 3.94
    propionitrile 8.63
    vinylene carbonate 41.06
    1,1,2-trichlorotrifluoroethane 56.22
    DMS 25.29
    cumene 7.0
    2-octanol 5.52
    2-hexanone 18.28
    octyl acetate 12.89
    limonene 7.77
    1,2-dimethoxyethane 36.58
    ethyl orthosilicate 14.7
    tributyl phosphate 12.35
    diacetone alcohol 16.12
    N,N-dimethylaniline 13.21
    acrylonitrile 15.9
    aniline 14.24
    1,3-propanediol 9.07
    bromobenzene 21.68
    dibromomethane 30.76
    1,1,2,2-tetrachloroethane 61.35
    2-methyl-cyclohexyl acetate 23.84
    tetrabutyl urea 16.9
    diisobutyl methanol 5.58
    2-phenylethanol 26.44
    styrene 8.34
    dioctyl adipate 17.35
    dimethyl sulfate 26.56
    ethyl butyrate 17.4
    methyl lactate 10.37
    butyl lactate 17.07
    diethyl carbonate 16.61
    propanediol butyl ether 12.28
    triethyl orthoformate 16.71
    p-tert-butyltoluene 6.71
    methyl 4-tert-butylbenzoate 26.63
    morpholine 29.49
    tert-butylamine 2.06
    n-dodecanol 4.94
    dimethoxymethane 28.47
    ethylene carbonate 31.7
    cyrene 29.5
    2-ethoxyethyl acetate 33.57
    2-ethylhexyl acetate 20.49
    1,2,4-trichlorobenzene 30.91
    4-methylpyridine 33.18
    dibutyl ether 7.6
    2,6-dimethyl-4-heptanol 5.58
    DEF 20.67
    dimethyl isosorbide 41.3
    tetrachloroethylene 49.5
    eugenol 30.06
    triacetin 24.59
    span 80 16.42
    1,4-butanediol 4.71
    1,1-dichloroethane 18.05
    2-methyl-1-pentanol 8.19
    methyl formate 19.74
    2-methyl-1-butanol 5.19
    n-decane 0.92
    butyronitrile 9.08
    3,7-dimethyl-1-octanol 7.32
    1-chlorooctane 4.85
    1-chlorotetradecane 2.67
    n-nonane 0.61
    undecane 0.76
    tert-butylcyclohexane 0.74
    cyclooctane 0.32
    cyclopentanol 6.81
    tetrahydropyran 18.6
    tert-amyl methyl ether 3.27
    2,5,8-trioxanonane 38.7
    1-hexene 1.36
    2-isopropoxyethanol 14.56
    2,2,2-trifluoroethanol 9.22
    methyl butyrate 21.36

    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