(I+/-S)-I+/--(Dimethylamino)-N-[(3R,4S,7S)-7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]benzenepropanamide

Overview IFRA Request a quote

  • Identifiers

    CAS number
    23926-98-9

    Molecular formula
    C34H40N4O4

    SMILES
    CC(C)C[C@H]1C(=O)NC=CC2=CC=C(C=C2)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@H](CC3=CC=CC=C3)N(C)C)C4=CC=CC=C4

    Safety labels

  • Odor profile

    Fragrance
    Odorless 47.8%
    Cooling 28.14%
    Savory 27.27%
    Bitter 22.8%
    Cooked 21.77%
    Roasted 21.3%
    Meaty 20.96%
    Spicy 20.62%
    Mint 20.32%
    Animal 18.08%

     

    Flavor
    Bitter 82.25%
    Odorless 23.02%
    Cedarleaf 20.31%
    Nitrile 19.45%
    Lovage 18.66%
    Sweet-like 18.4%
    Butyric 18.32%
    Bland 18.26%
    Heather 18.24%
    Green pepper 18.03%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    14.15 (strong base)

    Molecular weight
    568.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1186°C

    Flash point

    • 270.41 ˚C est.

  • Synonyms

    • DTXSID601099856
    • (I+/-S)-I+/--(Dimethylamino)-N-[(3R,4S,7S)-7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]benzenepropanamide
    • 23926-98-9
    • 23926-98-9

  • Applications

    Compound (I+/-S)-I+/--(Dimethylamino)-N-[(3R,4S,7S)-7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]benzenepropanamide (CAS 23926-98-9) is principally encountered as a strategic building block in pharmaceutical synthesis, where its rigid chiral scaffold can be carried into enantioenriched intermediates. It is commonly evaluated as a ligand or auxiliary for asymmetric catalysis and for constructing complex APIs. The extended conjugation and imide-like core also drive interest in its use as a specialty dye or chromophore precursor for coatings, inks, or advanced polymers, and it may be explored as a research reagent in materials and optoelectronic applications. In addition, it serves as a potential precursor for library generation in medicinal chemistry and as a framework for further functionalization in industrial synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.65
    methanol 24.73
    isopropanol 8.96
    water 0.25
    ethyl acetate 23.71
    n-propanol 14.34
    acetone 27.34
    n-butanol 11.09
    acetonitrile 9.4
    DMF 66.17
    toluene 13.94
    isobutanol 9.55
    1,4-dioxane 21.34
    methyl acetate 26.84
    THF 71.65
    2-butanone 32.81
    n-pentanol 11.58
    sec-butanol 11.9
    n-hexane 0.75
    ethylene glycol 7.93
    NMP 126.1
    cyclohexane 0.77
    DMSO 57.07
    n-butyl acetate 12.13
    n-octanol 4.64
    chloroform 76.23
    n-propyl acetate 13.59
    acetic acid 99.57
    dichloromethane 58.01
    cyclohexanone 49.47
    propylene glycol 14.72
    isopropyl acetate 15.27
    DMAc 149.88
    2-ethoxyethanol 25.74
    isopentanol 8.91
    n-heptane 0.67
    ethyl formate 19.99
    1,2-dichloroethane 27.32
    n-hexanol 8.38
    2-methoxyethanol 36.47
    isobutyl acetate 8.15
    tetrachloromethane 9.79
    n-pentyl acetate 12.74
    transcutol 45.54
    n-heptanol 6.91
    ethylbenzene 5.31
    MIBK 12.39
    2-propoxyethanol 28.68
    tert-butanol 8.1
    MTBE 7.42
    2-butoxyethanol 21.95
    propionic acid 39.23
    o-xylene 8.64
    formic acid 49.15
    diethyl ether 8.77
    m-xylene 8.24
    p-xylene 6.37
    chlorobenzene 17.38
    dimethyl carbonate 31.0
    n-octane 0.38
    formamide 42.28
    cyclopentanone 66.89
    2-pentanone 23.15
    anisole 10.29
    cyclopentyl methyl ether 24.06
    gamma-butyrolactone 86.5
    1-methoxy-2-propanol 32.17
    pyridine 35.91
    3-pentanone 23.73
    furfural 69.11
    n-dodecane 0.3
    diethylene glycol 22.25
    diisopropyl ether 2.57
    tert-amyl alcohol 11.05
    acetylacetone 32.67
    n-hexadecane 0.32
    acetophenone 17.98
    methyl propionate 32.92
    isopentyl acetate 10.52
    trichloroethylene 78.91
    n-nonanol 5.0
    cyclohexanol 13.53
    benzyl alcohol 18.08
    2-ethylhexanol 5.25
    isooctanol 5.27
    dipropyl ether 6.32
    1,2-dichlorobenzene 15.71
    ethyl lactate 15.97
    propylene carbonate 45.04
    n-methylformamide 38.24
    2-pentanol 8.65
    n-pentane 0.75
    1-propoxy-2-propanol 20.32
    1-methoxy-2-propyl acetate 22.14
    2-(2-methoxypropoxy) propanol 18.77
    mesitylene 3.46
    ε-caprolactone 48.67
    p-cymene 3.07
    epichlorohydrin 69.46
    1,1,1-trichloroethane 26.94
    2-aminoethanol 14.81
    morpholine-4-carbaldehyde 72.28
    sulfolane 110.91
    2,2,4-trimethylpentane 0.59
    2-methyltetrahydrofuran 29.35
    n-hexyl acetate 12.19
    isooctane 0.28
    2-(2-butoxyethoxy)ethanol 21.67
    sec-butyl acetate 10.03
    tert-butyl acetate 11.56
    decalin 0.61
    glycerin 26.57
    diglyme 34.74
    acrylic acid 49.65
    isopropyl myristate 3.99
    n-butyric acid 40.21
    acetyl acetate 21.32
    di(2-ethylhexyl) phthalate 7.77
    ethyl propionate 14.59
    nitromethane 87.56
    1,2-diethoxyethane 12.0
    benzonitrile 13.5
    trioctyl phosphate 5.23
    1-bromopropane 13.78
    gamma-valerolactone 91.11
    n-decanol 3.4
    triethyl phosphate 8.18
    4-methyl-2-pentanol 5.1
    propionitrile 11.63
    vinylene carbonate 45.42
    1,1,2-trichlorotrifluoroethane 95.15
    DMS 19.03
    cumene 3.33
    2-octanol 4.19
    2-hexanone 15.53
    octyl acetate 6.57
    limonene 4.27
    1,2-dimethoxyethane 24.41
    ethyl orthosilicate 7.32
    tributyl phosphate 6.16
    diacetone alcohol 22.89
    N,N-dimethylaniline 9.16
    acrylonitrile 18.11
    aniline 21.98
    1,3-propanediol 17.29
    bromobenzene 16.12
    dibromomethane 33.09
    1,1,2,2-tetrachloroethane 59.46
    2-methyl-cyclohexyl acetate 10.34
    tetrabutyl urea 9.07
    diisobutyl methanol 2.76
    2-phenylethanol 13.86
    styrene 6.49
    dioctyl adipate 8.2
    dimethyl sulfate 56.96
    ethyl butyrate 10.83
    methyl lactate 38.07
    butyl lactate 17.23
    diethyl carbonate 8.27
    propanediol butyl ether 19.46
    triethyl orthoformate 9.24
    p-tert-butyltoluene 2.82
    methyl 4-tert-butylbenzoate 16.87
    morpholine 30.84
    tert-butylamine 3.59
    n-dodecanol 2.39
    dimethoxymethane 39.35
    ethylene carbonate 33.93
    cyrene 31.19
    2-ethoxyethyl acetate 22.29
    2-ethylhexyl acetate 8.88
    1,2,4-trichlorobenzene 24.03
    4-methylpyridine 31.63
    dibutyl ether 4.11
    2,6-dimethyl-4-heptanol 2.76
    DEF 36.39
    dimethyl isosorbide 28.81
    tetrachloroethylene 41.64
    eugenol 17.85
    triacetin 20.18
    span 80 16.77
    1,4-butanediol 10.33
    1,1-dichloroethane 27.9
    2-methyl-1-pentanol 10.48
    methyl formate 36.74
    2-methyl-1-butanol 11.11
    n-decane 0.53
    butyronitrile 9.28
    3,7-dimethyl-1-octanol 4.05
    1-chlorooctane 2.44
    1-chlorotetradecane 0.98
    n-nonane 0.46
    undecane 0.38
    tert-butylcyclohexane 0.51
    cyclooctane 0.38
    cyclopentanol 20.68
    tetrahydropyran 18.56
    tert-amyl methyl ether 9.15
    2,5,8-trioxanonane 23.63
    1-hexene 3.4
    2-isopropoxyethanol 17.69
    2,2,2-trifluoroethanol 43.12
    methyl butyrate 17.81

    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