Demissidine

Base Information

• Chemical Name: Demissidine
• CAS No.: 474-08-8
• Molecular Formula: C27H45 N O
• Molecular Weight: 399.66
• European Community (EC) Number: 207-478-1
• UNII: VG66W0726Y
• DSSTox Substance ID: DTXSID801318127
• Nikkaji Number: J12.041C
• Wikidata: Q27291814
• Metabolomics Workbench ID: 35251
• ChEMBL ID: CHEMBL2165408
• Mol file: 474-08-8.mol

Synonyms:demissidine

Chemical Property of Demissidine

Chemical Property:

• Vapor Pressure: 8.57E-12mmHg at 25°C
• Melting Point: 218°C
• Boiling Point: 493.1°Cat760mmHg
• Flash Point: 212.4°C
• PSA: 23.47000
• Density: 1.08g/cm³
• LogP: 5.67280
• Storage Temp.: 2-8°C
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 399.350115059
• Heavy Atom Count: 29
• Complexity: 663

Purity/Quality:

99% ^*data from raw suppliers

Solanin D ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-40
• Safety Statements: 22-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C
• Isomeric SMILES: C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C

Technology Process of Demissidine

There total 46 articles about Demissidine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

3-(tert-butyldiphenylsilyloxy)demissidine (1430078-28-6) → demissidine (474-08-8)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 70 ℃; for 1h; Inert atmosphere;

DOI:10.1021/ol4004993

Reference yield: 74.0%

C27H43NO2 → demissidine (474-08-8)

Guidance literature:

With sodium bis(2-methoxyethoxy)aluminium dihydride; In toluene; at 0 - 20 ℃; for 2.5h; Inert atmosphere;

DOI:10.1021/acs.orglett.6b01320

Reference yield:

→ demissidine (474-08-8)

Guidance literature:

With sodium ethanolate; hydrazine hydrate; diethylene glycol; at 200 ℃;

DOI:10.1039/jr9530000963

upstream raw materials:

solanidine

Δ⁴-Solaniden-3-one

16,28-seco-5α-solanidane-3β,16β-diol

5α,22αH,25βH-solanidan-3-one