7,14-Methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine, dodecahydro-, (7S,7aR,14S,14aS)-, sulfate (1:1)

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  • Identifiers

    CAS number
    299-39-8

    Molecular formula
    C15H28N2O4S

    SMILES
    C1CCN2C[C@@H]3C[C@H]([C@H]2C1)CN4[C@H]3CCCC4.OS(=O)(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fishy 64.85%
    Animal 55.55%
    Cheesy 35.82%
    Sweet 32.73%
    Nutty 30.97%
    Earthy 29.74%
    Floral 28.28%
    Roasted 25.86%
    Popcorn 25.48%
    Ripe 24.41%

     

    Flavor
    Bitter 60.42%
    Animal 33.79%
    Alkaline 23.53%
    Cereal 19.95%
    Shrimp 19.92%
    Sweet 19.41%
    Indole 18.22%
    Rotten 18.15%
    Very strong 18.11%
    Sweet-like 17.98%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    8.7 (weak base)

    Molecular weight
    332.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    341°C

    Flash point

    • 149.94 ˚C est.

  • Synonyms

    • 299-39-8
    • Sparteine sulfate anhydrous
    • 3D76XVF9R0
    • NSC-143087
    • RefChem:888478
    • Anhydrous, Sparteine Sulfate
    • Sulfate Anhydrous, Sparteine
    • 206-078-4
    • 7,14-Methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine, dodecahydro-, (7S,7aR,14S,14aS)-, sulfate (1:1)
    • (-)-Sparteine (sulfate)
    • Tocosimplex
    • Sparteal
    • Spartepur
    • Spartin
    • Spartocin
    • Spatym
    • Sparm
    • Spal
    • Actospar
    • Depasan
    • Tocosamine sulfate
    • Sparteine, sulfate
    • (1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;sulfuric acid
    • Sparteine sulphate
    • Spareng
    • SPARTEINE, (D)
    • Siarczan sparteiny
    • L-Spartein sulfat
    • (-)-Sparteine sulfate
    • Sparteine, sulfate (1:1)
    • Sparteine sulfate (VAN)
    • NSC 143087
    • C15H28N2O4S
    • Siarczan sparteiny [Polish]
    • UNII-3D76XVF9R0
    • EINECS 206-078-4
    • (-)-Spartein sulfate
    • SCHEMBL636201
    • CHEMBL2165222
    • SPARTEINE SULPHATE ANHYDROUS
    • HY-N0491
    • AKOS037514847
    • 7,14-Methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine, dodecahydro-, (7S-(7alpha,7aalpha,14alpha,14abeta))-, sulfate (1:1)
    • DA-58032
    • FS-10464
    • CS-0009008
    • NS00079406
    • SPARTEINE SULFATE ANHYDROUS [WHO-DD]
    • Q27257065
    • (7S,7aR,14S,14aS)-dodecahydro-2H,6H-7,14-methanodipyrido[1,2-a:1',2'-e][1,5]diazocine sulfate
    • 299-39-8

  • Applications

    7,14-Methano-2H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocine, dodecahydro-, (7S,7aR,14S,14aS)-, sulfate (1:1) (CAS 299-39-8) is used primarily as a rigid, polycyclic amine building block in pharmaceutical synthesis, providing a versatile scaffold for assembling heterocyclic cores. It is often explored in medicinal chemistry as a scaffold for SAR studies and as a potential chiral building block or ligand precursor for asymmetric synthesis. In addition, it can serve as an intermediate for preparing more complex heterocycles and related compounds. In polymer and materials science it may function as a diamine-derived precursor or crosslinking unit to impart structural rigidity to polyamide or related networks. The sulfate salt form aids handling and crystallization in synthesis workflows, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 93.78
    methanol 114.7
    isopropanol 47.35
    water 5.19
    ethyl acetate 201.07
    n-propanol 95.23
    acetone 127.45
    n-butanol 93.22
    acetonitrile 97.47
    DMF 188.83
    toluene 159.52
    isobutanol 72.38
    1,4-dioxane 287.69
    methyl acetate 163.58
    THF 341.06
    2-butanone 138.34
    n-pentanol 59.41
    sec-butanol 46.51
    n-hexane 8.32
    ethylene glycol 55.74
    NMP 266.75
    cyclohexane 46.06
    DMSO 176.57
    n-butyl acetate 197.86
    n-octanol 40.99
    chloroform 1039.27
    n-propyl acetate 112.96
    acetic acid 344.29
    dichloromethane 783.04
    cyclohexanone 327.58
    propylene glycol 38.91
    isopropyl acetate 125.21
    DMAc 176.03
    2-ethoxyethanol 125.85
    isopentanol 81.26
    n-heptane 13.82
    ethyl formate 230.6
    1,2-dichloroethane 362.74
    n-hexanol 89.74
    2-methoxyethanol 217.57
    isobutyl acetate 94.76
    tetrachloromethane 221.65
    n-pentyl acetate 113.22
    transcutol 359.35
    n-heptanol 59.02
    ethylbenzene 49.84
    MIBK 78.31
    2-propoxyethanol 199.72
    tert-butanol 41.76
    MTBE 45.05
    2-butoxyethanol 136.78
    propionic acid 195.66
    o-xylene 93.27
    formic acid 159.87
    diethyl ether 90.7
    m-xylene 98.29
    p-xylene 67.87
    chlorobenzene 292.3
    dimethyl carbonate 92.54
    n-octane 6.31
    formamide 168.44
    cyclopentanone 336.33
    2-pentanone 123.08
    anisole 75.65
    cyclopentyl methyl ether 156.2
    gamma-butyrolactone 514.43
    1-methoxy-2-propanol 120.26
    pyridine 375.37
    3-pentanone 125.22
    furfural 579.94
    n-dodecane 5.99
    diethylene glycol 173.37
    diisopropyl ether 31.17
    tert-amyl alcohol 39.04
    acetylacetone 176.9
    n-hexadecane 7.04
    acetophenone 108.82
    methyl propionate 150.41
    isopentyl acetate 166.16
    trichloroethylene 860.1
    n-nonanol 40.91
    cyclohexanol 125.95
    benzyl alcohol 112.63
    2-ethylhexanol 73.53
    isooctanol 50.51
    dipropyl ether 74.41
    1,2-dichlorobenzene 261.0
    ethyl lactate 78.74
    propylene carbonate 353.4
    n-methylformamide 186.55
    2-pentanol 48.4
    n-pentane 13.82
    1-propoxy-2-propanol 132.48
    1-methoxy-2-propyl acetate 180.14
    2-(2-methoxypropoxy) propanol 99.89
    mesitylene 59.31
    ε-caprolactone 329.95
    p-cymene 60.68
    epichlorohydrin 455.93
    1,1,1-trichloroethane 359.47
    2-aminoethanol 76.32
    morpholine-4-carbaldehyde 311.48
    sulfolane 383.14
    2,2,4-trimethylpentane 9.2
    2-methyltetrahydrofuran 223.26
    n-hexyl acetate 105.48
    isooctane 6.21
    2-(2-butoxyethoxy)ethanol 138.37
    sec-butyl acetate 82.18
    tert-butyl acetate 94.29
    decalin 16.8
    glycerin 91.13
    diglyme 268.03
    acrylic acid 227.14
    isopropyl myristate 46.22
    n-butyric acid 291.99
    acetyl acetate 214.28
    di(2-ethylhexyl) phthalate 66.02
    ethyl propionate 98.86
    nitromethane 358.51
    1,2-diethoxyethane 146.43
    benzonitrile 199.44
    trioctyl phosphate 46.31
    1-bromopropane 172.8
    gamma-valerolactone 503.37
    n-decanol 32.15
    triethyl phosphate 83.04
    4-methyl-2-pentanol 37.85
    propionitrile 112.67
    vinylene carbonate 395.96
    1,1,2-trichlorotrifluoroethane 403.64
    DMS 118.34
    cumene 40.52
    2-octanol 30.74
    2-hexanone 76.87
    octyl acetate 60.56
    limonene 71.66
    1,2-dimethoxyethane 154.37
    ethyl orthosilicate 79.65
    tributyl phosphate 63.35
    diacetone alcohol 89.14
    N,N-dimethylaniline 52.61
    acrylonitrile 163.76
    aniline 200.09
    1,3-propanediol 127.6
    bromobenzene 304.57
    dibromomethane 463.5
    1,1,2,2-tetrachloroethane 594.83
    2-methyl-cyclohexyl acetate 105.74
    tetrabutyl urea 63.4
    diisobutyl methanol 41.98
    2-phenylethanol 127.23
    styrene 64.31
    dioctyl adipate 75.32
    dimethyl sulfate 139.73
    ethyl butyrate 130.66
    methyl lactate 102.83
    butyl lactate 96.08
    diethyl carbonate 104.34
    propanediol butyl ether 81.27
    triethyl orthoformate 106.31
    p-tert-butyltoluene 52.18
    methyl 4-tert-butylbenzoate 103.9
    morpholine 266.15
    tert-butylamine 30.49
    n-dodecanol 26.35
    dimethoxymethane 146.72
    ethylene carbonate 324.21
    cyrene 116.01
    2-ethoxyethyl acetate 165.74
    2-ethylhexyl acetate 149.8
    1,2,4-trichlorobenzene 311.71
    4-methylpyridine 277.08
    dibutyl ether 56.67
    2,6-dimethyl-4-heptanol 41.98
    DEF 156.74
    dimethyl isosorbide 186.45
    tetrachloroethylene 508.33
    eugenol 98.49
    triacetin 127.28
    span 80 89.24
    1,4-butanediol 52.43
    1,1-dichloroethane 288.9
    2-methyl-1-pentanol 58.96
    methyl formate 190.05
    2-methyl-1-butanol 76.89
    n-decane 9.06
    butyronitrile 123.42
    3,7-dimethyl-1-octanol 47.19
    1-chlorooctane 37.25
    1-chlorotetradecane 18.07
    n-nonane 7.99
    undecane 7.18
    tert-butylcyclohexane 12.11
    cyclooctane 16.97
    cyclopentanol 126.7
    tetrahydropyran 233.23
    tert-amyl methyl ether 45.08
    2,5,8-trioxanonane 172.99
    1-hexene 27.04
    2-isopropoxyethanol 83.66
    2,2,2-trifluoroethanol 219.59
    methyl butyrate 123.03

    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