(2S)-N-[(3R,4S,7S)-3-Ethyl-3-methyl-7-(2-methylpropyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-1-methyl-2-pyrrolidinecarboxamide

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  • Identifiers

    CAS number
    23926-97-8

    Molecular formula
    C26H38N4O4

    SMILES
    CC[C@@]1([C@@H](C(=O)N[C@H](C(=O)NC=CC2=CC=C(O1)C=C2)CC(C)C)NC(=O)[C@@H]3CCCN3C)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 56.37%
    Cooling 29.46%
    Roasted 27.91%
    Popcorn 24.3%
    Savory 23.92%
    Nutty 22.2%
    Mint 21.33%
    Meaty 19.72%
    Spicy 17.59%
    Cooked 16.99%

     

    Flavor
    Bitter 81.85%
    Cedarleaf 21.41%
    Odorless 20.23%
    Lovage 19.41%
    Nitrile 18.7%
    Sweet-like 18.63%
    Basil 18.52%
    Leaves 18.41%
    Bland 18.39%
    Parsley 18.38%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    15.1 (strong base)

    Molecular weight
    470.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1095°C

    Flash point

    • 258.18 ˚C est.

  • Synonyms

    • DTXSID401099505
    • (2S)-N-[(3R,4S,7S)-3-Ethyl-3-methyl-7-(2-methylpropyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-1-methyl-2-pyrrolidinecarboxamide
    • 23926-97-8
    • 23926-97-8

  • Applications

    CAS 23926-97-8, the chemical name (2S)-N-[(3R,4S,7S)-3-Ethyl-3-methyl-7-(2-methylpropyl)-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-1-methyl-2-pyrrolidinecarboxamide, is primarily encountered as a pharmaceutical synthesis intermediate and a chiral building block in drug development. It may serve as a scaffold for asymmetric synthesis, act as a ligand or auxiliary in catalytic transformations, and find use as a reactive imide-containing monomer or crosslinker in specialty polymers and coatings. In research settings, it is often evaluated for expansion of bioactive heterocycles and as a precursor in agrochemical discovery, while its actual applications depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 232.44
    methanol 268.45
    isopropanol 111.82
    water 1.38
    ethyl acetate 179.72
    n-propanol 201.85
    acetone 186.49
    n-butanol 168.39
    acetonitrile 78.17
    DMF 338.07
    toluene 45.82
    isobutanol 128.42
    1,4-dioxane 163.13
    methyl acetate 179.82
    THF 263.23
    2-butanone 212.21
    n-pentanol 127.22
    sec-butanol 146.97
    n-hexane 3.59
    ethylene glycol 65.27
    NMP 537.49
    cyclohexane 4.17
    DMSO 259.64
    n-butyl acetate 105.92
    n-octanol 34.48
    chloroform 378.24
    n-propyl acetate 98.59
    acetic acid 881.62
    dichloromethane 311.62
    cyclohexanone 266.43
    propylene glycol 112.34
    isopropyl acetate 102.05
    DMAc 604.99
    2-ethoxyethanol 253.75
    isopentanol 112.86
    n-heptane 2.06
    ethyl formate 182.32
    1,2-dichloroethane 177.3
    n-hexanol 84.86
    2-methoxyethanol 366.59
    isobutyl acetate 63.47
    tetrachloromethane 51.16
    n-pentyl acetate 98.3
    transcutol 418.3
    n-heptanol 49.81
    ethylbenzene 20.29
    MIBK 79.45
    2-propoxyethanol 234.93
    tert-butanol 68.01
    MTBE 57.51
    2-butoxyethanol 180.75
    propionic acid 289.02
    o-xylene 29.52
    formic acid 439.94
    diethyl ether 74.63
    m-xylene 27.01
    p-xylene 27.37
    chlorobenzene 86.47
    dimethyl carbonate 117.52
    n-octane 1.13
    formamide 361.62
    cyclopentanone 274.17
    2-pentanone 158.41
    anisole 44.22
    cyclopentyl methyl ether 103.57
    gamma-butyrolactone 398.35
    1-methoxy-2-propanol 239.18
    pyridine 184.39
    3-pentanone 123.0
    furfural 343.22
    n-dodecane 0.97
    diethylene glycol 176.28
    diisopropyl ether 16.48
    tert-amyl alcohol 97.97
    acetylacetone 158.76
    n-hexadecane 1.07
    acetophenone 86.08
    methyl propionate 173.76
    isopentyl acetate 91.6
    trichloroethylene 421.02
    n-nonanol 35.21
    cyclohexanol 118.97
    benzyl alcohol 92.76
    2-ethylhexanol 39.5
    isooctanol 36.08
    dipropyl ether 27.59
    1,2-dichlorobenzene 80.83
    ethyl lactate 88.99
    propylene carbonate 245.93
    n-methylformamide 286.16
    2-pentanol 91.17
    n-pentane 4.33
    1-propoxy-2-propanol 128.98
    1-methoxy-2-propyl acetate 130.91
    2-(2-methoxypropoxy) propanol 112.8
    mesitylene 12.45
    ε-caprolactone 328.31
    p-cymene 13.39
    epichlorohydrin 390.53
    1,1,1-trichloroethane 158.54
    2-aminoethanol 153.06
    morpholine-4-carbaldehyde 432.23
    sulfolane 398.19
    2,2,4-trimethylpentane 3.14
    2-methyltetrahydrofuran 194.88
    n-hexyl acetate 104.19
    isooctane 1.41
    2-(2-butoxyethoxy)ethanol 165.92
    sec-butyl acetate 67.79
    tert-butyl acetate 69.22
    decalin 3.19
    glycerin 196.78
    diglyme 252.85
    acrylic acid 318.61
    isopropyl myristate 24.99
    n-butyric acid 365.2
    acetyl acetate 140.28
    di(2-ethylhexyl) phthalate 53.86
    ethyl propionate 80.85
    nitromethane 552.4
    1,2-diethoxyethane 93.35
    benzonitrile 79.61
    trioctyl phosphate 34.51
    1-bromopropane 90.21
    gamma-valerolactone 524.29
    n-decanol 22.89
    triethyl phosphate 41.72
    4-methyl-2-pentanol 41.58
    propionitrile 77.71
    vinylene carbonate 259.08
    1,1,2-trichlorotrifluoroethane 479.31
    DMS 113.03
    cumene 14.08
    2-octanol 27.42
    2-hexanone 95.97
    octyl acetate 46.21
    limonene 19.5
    1,2-dimethoxyethane 171.64
    ethyl orthosilicate 37.61
    tributyl phosphate 43.59
    diacetone alcohol 120.28
    N,N-dimethylaniline 37.13
    acrylonitrile 106.96
    aniline 100.56
    1,3-propanediol 220.93
    bromobenzene 73.74
    dibromomethane 190.18
    1,1,2,2-tetrachloroethane 310.67
    2-methyl-cyclohexyl acetate 59.35
    tetrabutyl urea 50.83
    diisobutyl methanol 14.81
    2-phenylethanol 83.17
    styrene 24.72
    dioctyl adipate 51.45
    dimethyl sulfate 202.88
    ethyl butyrate 62.8
    methyl lactate 174.27
    butyl lactate 108.2
    diethyl carbonate 48.56
    propanediol butyl ether 145.54
    triethyl orthoformate 48.69
    p-tert-butyltoluene 11.53
    methyl 4-tert-butylbenzoate 85.39
    morpholine 266.08
    tert-butylamine 28.42
    n-dodecanol 14.47
    dimethoxymethane 182.97
    ethylene carbonate 205.41
    cyrene 142.57
    2-ethoxyethyl acetate 172.24
    2-ethylhexyl acetate 72.04
    1,2,4-trichlorobenzene 118.78
    4-methylpyridine 177.84
    dibutyl ether 23.42
    2,6-dimethyl-4-heptanol 14.81
    DEF 214.15
    dimethyl isosorbide 147.04
    tetrachloroethylene 217.71
    eugenol 94.25
    triacetin 117.32
    span 80 95.86
    1,4-butanediol 107.16
    1,1-dichloroethane 176.81
    2-methyl-1-pentanol 104.09
    methyl formate 213.98
    2-methyl-1-butanol 145.17
    n-decane 1.84
    butyronitrile 81.98
    3,7-dimethyl-1-octanol 31.48
    1-chlorooctane 13.62
    1-chlorotetradecane 4.54
    n-nonane 1.48
    undecane 1.27
    tert-butylcyclohexane 2.38
    cyclooctane 1.56
    cyclopentanol 142.42
    tetrahydropyran 143.5
    tert-amyl methyl ether 61.06
    2,5,8-trioxanonane 143.09
    1-hexene 19.45
    2-isopropoxyethanol 155.84
    2,2,2-trifluoroethanol 320.42
    methyl butyrate 118.01

    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