Cas no 87701-68-6 (Alismoxide)

Alismoxide structure
Alismoxide structure
Product Name:Alismoxide
CAS No:87701-68-6
MF:C15H26O2
MW:238.365745067596
MDL:MFCD13195570
CID:61113
PubChem ID:10988340
Update Time:2025-07-13

Alismoxide Chemical and Physical Properties

Names and Identifiers

    • Alismoxide
    • (1S,3aR,4R,8aS)-1,2,3,3a,4,5,6,8a-Octahydro-1,4-dimethyl-7-(1-methylethyl)-1,4-azulenediol
    • (+)-Alismoxide
    • 1,4-Azulenediol,1,2,3,3a,4,5,6,8a-octahydro-1,4-dimethyl-7-(1-methylethyl)-, (1S,3aR,4R,8aS)-
    • Nephalbidol
    • 9082AF
    • AK548047
    • N1054
    • 701A686
    • (1S,3aR,4R,8aS)-1,2,3,3a,4,5,6,8a-Octahydro-1,4-dimethyl-7-(1-methylethyl)-1,4-azulenediol (ACI)
    • 4β,10α-Dihydroxy-1αH,5βH-guai-6-ene
    • AKOS030632801
    • MFCD13195570
    • (1S,3aR,4R,8aS)-1,4-dimethyl-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulene-1,4-diol
    • (1S,3aR,4R,8aS)-7-isopropyl-1,4-dimethyl-1,2,3,3a,4,5,6,8a-octahydroazulene-1,4-diol
    • AS-56209
    • HY-N0426
    • AC-34275
    • CHEMBL2386511
    • 87701-68-6
    • CS-3653
    • DA-60913
    • (1S,3AR,4R,8AS)-7-ISOPROPYL-1,4-DIMETHYL-2,3,3A,5,6,8A-HEXAHYDROAZULENE-1,4-DIOL
    • MDL： MFCD13195570
    • Inchi： 1S/C15H26O2/c1-10(2)11-5-7-14(3,16)12-6-8-15(4,17)13(12)9-11/h9-10,12-13,16-17H,5-8H2,1-4H3/t12-,13+,14-,15+/m1/s1
    • InChI Key： IWQURBSTAIRNAE-BARDWOONSA-N
    • SMILES： C[C@@]1(CC[C@H]2[C@@](CCC(=C[C@H]12)C(C)C)(O)C)O

Computed Properties

  • Exact Mass: 238.19300
  • Monoisotopic Mass: 238.193280068 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 334
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 40.5
  • Molecular Weight: 238.37
  • XLogP3: 2.1

Experimental Properties

  • Color/Form: Oil
  • Density: 1.024
  • Melting Point: 140-142 oC
  • Boiling Point: 343.228℃ at 760 mmHg
  • Flash Point: 153.902 °C
  • PSA: 40.46000
  • LogP: 2.89080

Alismoxide Security Information

  • Storage Condition：Powder -20°C 3 years ? 4°C 2 years In solvent -80°C 6 months ? -20°C 1 month

Alismoxide Pricemore >>

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Alismoxide Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran ;  0 °C
1.2 Solvents: Tetrahydrofuran ;  0 °C; 0 °C → rt; 20 min, rt
1.3 Reagents: Ammonium chloride Solvents: Water ;  rt
Reference
Syntheses of (+)-Alismoxide and (+)-4-epi-Alismoxide
Blay, Gonzalo; et al, Journal of Organic Chemistry, 2006, 71(20), 7866-7869

Production Method 2

Reaction Conditions
1.1 Solvents: Ethanol ,  Benzene ;  rt
1.2 Reagents: Nickel ;  30 min, rt
1.3 Reagents: Nickel ;  30 min, rt
1.4 Reagents: Nickel ;  30 min, rt
1.5 Reagents: Nickel ;  30 min, rt
2.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran ;  0 °C
2.2 Solvents: Tetrahydrofuran ;  0 °C; 0 °C → rt; 20 min, rt
2.3 Reagents: Ammonium chloride Solvents: Water ;  rt
Reference
Syntheses of (+)-Alismoxide and (+)-4-epi-Alismoxide
Blay, Gonzalo; et al, Journal of Organic Chemistry, 2006, 71(20), 7866-7869

Production Method 3

Reaction Conditions
1.1 Solvents: Tetrahydrofuran ;  rt
1.2 Reagents: Phosphinic acid Solvents: Water ;  90 min, rt
1.3 Reagents: Phosphinic acid Solvents: Water ;  3 h, rt
1.4 Reagents: Phosphinic acid Solvents: Water ;  30 min, rt
1.5 Reagents: Sodium bicarbonate Solvents: Water ;  rt
2.1 Solvents: Ethanol ,  Benzene ;  rt
2.2 Reagents: Nickel ;  30 min, rt
2.3 Reagents: Nickel ;  30 min, rt
2.4 Reagents: Nickel ;  30 min, rt
2.5 Reagents: Nickel ;  30 min, rt
3.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran ;  0 °C
3.2 Solvents: Tetrahydrofuran ;  0 °C; 0 °C → rt; 20 min, rt
3.3 Reagents: Ammonium chloride Solvents: Water ;  rt
Reference
Syntheses of (+)-Alismoxide and (+)-4-epi-Alismoxide
Blay, Gonzalo; et al, Journal of Organic Chemistry, 2006, 71(20), 7866-7869

Production Method 4

Reaction Conditions
Reference
Sesquiterpenoids from muriceides collaris
Shi, Xue-feng; et al, Yaoxue Xuebao, 2015, 50(9), 1156-1160

Production Method 5

Reaction Conditions
Reference
Sesquiterpenoids from muriceides collaris
Shi, Xue-feng; et al, Yaoxue Xuebao, 2015, 50(9), 1156-1160

Production Method 6

Reaction Conditions
1.1 Reagents: Tosylhydrazine Solvents: Ethanol ;  90 min, reflux; reflux → rt
1.2 Solvents: Chloroform ;  rt → -50 °C
1.3 Reagents: Benzoic acid Solvents: Tetrahydrofuran ;  30 min, -50 °C
1.4 Reagents: Sodium acetate ;  -50 °C; -50 °C → reflux; 1 h, reflux
2.1 Solvents: Tetrahydrofuran ;  rt
2.2 Reagents: Phosphinic acid Solvents: Water ;  90 min, rt
2.3 Reagents: Phosphinic acid Solvents: Water ;  3 h, rt
2.4 Reagents: Phosphinic acid Solvents: Water ;  30 min, rt
2.5 Reagents: Sodium bicarbonate Solvents: Water ;  rt
3.1 Solvents: Ethanol ,  Benzene ;  rt
3.2 Reagents: Nickel ;  30 min, rt
3.3 Reagents: Nickel ;  30 min, rt
3.4 Reagents: Nickel ;  30 min, rt
3.5 Reagents: Nickel ;  30 min, rt
4.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran ;  0 °C
4.2 Solvents: Tetrahydrofuran ;  0 °C; 0 °C → rt; 20 min, rt
4.3 Reagents: Ammonium chloride Solvents: Water ;  rt
Reference
Syntheses of (+)-Alismoxide and (+)-4-epi-Alismoxide
Blay, Gonzalo; et al, Journal of Organic Chemistry, 2006, 71(20), 7866-7869

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Amadis Chemical Company Limited
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(CAS:87701-68-6)Alismoxide
Order Number:A1205479
Stock Status:in Stock
Quantity:50mg/100mg/250mg
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 15:57
Price ($):237.0/401.0/761.0
Hubei Cuiyuan Biotechnology Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:87701-68-6)Alismoxide
Order Number:CRN0856
Stock Status:in stock
Quantity:5mg/20mg/50mg
Purity:≥98%
Pricing Information Last Updated:Friday, 14 March 2025 10:55
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Amadis Chemical Company Limited
(CAS:87701-68-6)Alismoxide
A1205479
Purity:99%/99%/99%
Quantity:50mg/100mg/250mg
Price ($):237.0/401.0/761.0
Email
Hubei Cuiyuan Biotechnology Co.,Ltd
(CAS:87701-68-6)Alismoxide
CRN0856
Purity:≥98%
Quantity:5mg/20mg/50mg
Price ($):Inquiry
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