Furfuryl tetrahydropyranyladenine

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  • Identifiers

    CAS number
    109403-64-7

    Molecular formula
    C15H17N5O2

    SMILES
    C1CCOC(C1)N2C=NC3=C(N=CN=C32)NCC4=CC=CO4

    Safety labels

  • Odor profile

    Fragrance
    Roasted 47.85%
    Nutty 43.23%
    Meaty 34.68%
    Cooked 29.41%
    Popcorn 29.13%
    Earthy 28.26%
    Burnt 27.86%
    Odorless 26.94%
    Savory 25.77%
    Coffee 23.63%

     

    Flavor
    Bitter 76.47%
    Roasted 32.26%
    Cereal 21.24%
    Scallion 21.17%
    Bread crust 20.01%
    Cedarleaf 19.76%
    Carrot 19.66%
    Odorless 19.48%
    Very strong 19.36%
    Taco 19.33%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    5.09 (weak acid)

    Molecular weight
    299.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    621°C

    Flash point

    • 254.71 ˚C est.

  • Synonyms

    • Furfuryl tetrahydropyranyladenine
    • 109403-64-7
    • UNII-FPU74MCG1O
    • FPU74MCG1O
    • PRK-124
    • 9H-Purin-6-amine, N-(2-furanylmethyl)-9-(tetrahydro-2H-pyran-2-yl)-
    • Adenine, n6-furfuryl-9-(tetrahydropyran-2-yl)-
    • RefChem:201020
    • FURFURYL TETRAHYDROPYRANYLADENINE [INCI]
    • N-(furan-2-ylmethyl)-9-(oxan-2-yl)purin-6-amine
    • N-(2-Furanylmethyl)-9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-amine
    • orb2814925
    • SCHEMBL2391367
    • DTXSID30911155
    • N-[(Furan-2-yl)methyl]-9-(oxan-2-yl)-9H-purin-6-amine
    • DB-230905
    • 6-furfurylamino-9-(tetrahydropyran-2-yl)-9h-purine
    • Q27278124
    • 109403-64-7

  • Applications

    Furfuryl tetrahydropyranyladenine (CAS 109403-64-7) is primarily used as an intermediate and protected nucleobase building block in nucleoside/nucleotide synthesis, particularly within pharmaceutical research and development. It is commonly evaluated as a protected adenine derivative to enable selective coupling and deprotection steps in medicinal chemistry. In polymer chemistry, it may be employed as a protected adenine unit for incorporation into nucleotide-like monomers or nucleic-acid–mimicking polymers. It also serves as a reagent and starting point in academic and industrial research for synthetic sequence planning under protecting-group strategies, with use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 37.43
    methanol 57.86
    isopropanol 20.31
    water 0.86
    ethyl acetate 24.63
    n-propanol 31.42
    acetone 44.95
    n-butanol 33.55
    acetonitrile 26.19
    DMF 106.0
    toluene 13.87
    isobutanol 27.36
    1,4-dioxane 30.8
    methyl acetate 30.06
    THF 105.61
    2-butanone 61.98
    n-pentanol 26.41
    sec-butanol 31.34
    n-hexane 0.72
    ethylene glycol 43.59
    NMP 112.09
    cyclohexane 1.77
    DMSO 132.91
    n-butyl acetate 12.9
    n-octanol 5.23
    chloroform 67.96
    n-propyl acetate 15.78
    acetic acid 126.63
    dichloromethane 90.62
    cyclohexanone 75.11
    propylene glycol 44.2
    isopropyl acetate 13.37
    DMAc 165.51
    2-ethoxyethanol 76.08
    isopentanol 30.64
    n-heptane 0.95
    ethyl formate 30.42
    1,2-dichloroethane 47.21
    n-hexanol 14.87
    2-methoxyethanol 132.77
    isobutyl acetate 11.45
    tetrachloromethane 7.72
    n-pentyl acetate 11.54
    transcutol 118.06
    n-heptanol 8.67
    ethylbenzene 4.56
    MIBK 17.06
    2-propoxyethanol 48.81
    tert-butanol 15.2
    MTBE 8.84
    2-butoxyethanol 32.51
    propionic acid 57.13
    o-xylene 7.19
    formic acid 135.18
    diethyl ether 12.04
    m-xylene 7.72
    p-xylene 7.46
    chlorobenzene 21.66
    dimethyl carbonate 24.05
    n-octane 0.46
    formamide 151.6
    cyclopentanone 91.83
    2-pentanone 34.54
    anisole 10.12
    cyclopentyl methyl ether 29.32
    gamma-butyrolactone 94.52
    1-methoxy-2-propanol 74.47
    pyridine 77.09
    3-pentanone 31.57
    furfural 116.52
    n-dodecane 0.43
    diethylene glycol 68.96
    diisopropyl ether 3.1
    tert-amyl alcohol 24.43
    acetylacetone 36.52
    n-hexadecane 0.49
    acetophenone 21.02
    methyl propionate 32.71
    isopentyl acetate 13.56
    trichloroethylene 113.55
    n-nonanol 5.98
    cyclohexanol 36.38
    benzyl alcohol 33.73
    2-ethylhexanol 9.0
    isooctanol 7.76
    dipropyl ether 6.83
    1,2-dichlorobenzene 17.52
    ethyl lactate 20.64
    propylene carbonate 45.4
    n-methylformamide 74.42
    2-pentanol 18.65
    n-pentane 1.03
    1-propoxy-2-propanol 27.8
    1-methoxy-2-propyl acetate 20.5
    2-(2-methoxypropoxy) propanol 36.03
    mesitylene 3.71
    ε-caprolactone 59.2
    p-cymene 4.19
    epichlorohydrin 116.95
    1,1,1-trichloroethane 21.63
    2-aminoethanol 55.68
    morpholine-4-carbaldehyde 89.05
    sulfolane 116.68
    2,2,4-trimethylpentane 0.93
    2-methyltetrahydrofuran 53.7
    n-hexyl acetate 11.96
    isooctane 0.38
    2-(2-butoxyethoxy)ethanol 46.1
    sec-butyl acetate 11.09
    tert-butyl acetate 11.01
    decalin 0.89
    glycerin 95.43
    diglyme 67.24
    acrylic acid 76.61
    isopropyl myristate 5.76
    n-butyric acid 57.33
    acetyl acetate 18.26
    di(2-ethylhexyl) phthalate 13.44
    ethyl propionate 14.67
    nitromethane 115.86
    1,2-diethoxyethane 16.87
    benzonitrile 29.6
    trioctyl phosphate 8.34
    1-bromopropane 18.89
    gamma-valerolactone 117.97
    n-decanol 5.02
    triethyl phosphate 10.94
    4-methyl-2-pentanol 9.85
    propionitrile 26.37
    vinylene carbonate 45.13
    1,1,2-trichlorotrifluoroethane 136.42
    DMS 18.34
    cumene 3.55
    2-octanol 4.95
    2-hexanone 21.93
    octyl acetate 8.93
    limonene 5.75
    1,2-dimethoxyethane 48.29
    ethyl orthosilicate 9.72
    tributyl phosphate 10.09
    diacetone alcohol 29.33
    N,N-dimethylaniline 8.73
    acrylonitrile 42.09
    aniline 38.72
    1,3-propanediol 70.74
    bromobenzene 17.76
    dibromomethane 42.28
    1,1,2,2-tetrachloroethane 72.89
    2-methyl-cyclohexyl acetate 12.66
    tetrabutyl urea 14.18
    diisobutyl methanol 4.25
    2-phenylethanol 21.98
    styrene 5.96
    dioctyl adipate 12.59
    dimethyl sulfate 45.01
    ethyl butyrate 13.21
    methyl lactate 46.89
    butyl lactate 17.9
    diethyl carbonate 11.02
    propanediol butyl ether 30.16
    triethyl orthoformate 11.63
    p-tert-butyltoluene 3.24
    methyl 4-tert-butylbenzoate 19.42
    morpholine 58.46
    tert-butylamine 6.38
    n-dodecanol 4.11
    dimethoxymethane 50.5
    ethylene carbonate 35.93
    cyrene 46.12
    2-ethoxyethyl acetate 20.76
    2-ethylhexyl acetate 10.95
    1,2,4-trichlorobenzene 26.72
    4-methylpyridine 47.48
    dibutyl ether 5.18
    2,6-dimethyl-4-heptanol 4.25
    DEF 44.35
    dimethyl isosorbide 38.37
    tetrachloroethylene 51.53
    eugenol 26.18
    triacetin 20.19
    span 80 24.93
    1,4-butanediol 38.02
    1,1-dichloroethane 29.5
    2-methyl-1-pentanol 28.29
    methyl formate 55.34
    2-methyl-1-butanol 36.3
    n-decane 0.6
    butyronitrile 26.96
    3,7-dimethyl-1-octanol 6.95
    1-chlorooctane 2.61
    1-chlorotetradecane 1.43
    n-nonane 0.51
    undecane 0.5
    tert-butylcyclohexane 0.58
    cyclooctane 0.64
    cyclopentanol 44.92
    tetrahydropyran 32.92
    tert-amyl methyl ether 11.61
    2,5,8-trioxanonane 52.29
    1-hexene 3.5
    2-isopropoxyethanol 40.59
    2,2,2-trifluoroethanol 60.73
    methyl butyrate 21.7

    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