14-[(Z)-5,6-Dimethylhept-3-en-2-yl]-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadeca-8,10-diene

Base Information

• Chemical Name: 14-[(Z)-5,6-Dimethylhept-3-en-2-yl]-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadeca-8,10-diene
• CAS No.: 24352-51-0
• Molecular Formula: C28H42
• Molecular Weight: 378.641
• NSC Number: 231313,22245
• Mol file: 24352-51-0.mol

Synonyms:14-[(Z)-5,6-Dimethylhept-3-en-2-yl]-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadeca-8,10-diene;24352-51-0;NSC22245;NSC-22245;NSC231313;NSC-231313

Chemical Property of 14-[(Z)-5,6-Dimethylhept-3-en-2-yl]-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadeca-8,10-diene

Chemical Property:

• Vapor Pressure: 1.71E-08mmHg at 25°C
• Boiling Point: 468.3oC at 760 mmHg
• Flash Point: 230.1oC
• PSA: 0.00000
• Density: 1g/cm3
• LogP: 7.96990
• XLogP3: 8.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 378.328651340
• Heavy Atom Count: 28
• Complexity: 750

Purity/Quality:

97% ^*data from raw suppliers

3,5-Cycloergosta-6,8(14),22-triene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C(C)C=CC(C)C1CCC2=C3C=CC45CC4CCC5(C3CCC12C)C
• Isomeric SMILES: CC(C)C(C)/C=C\C(C)C1CCC2=C3C=CC45CC4CCC5(C3CCC12C)C

Technology Process of 14-[(Z)-5,6-Dimethylhept-3-en-2-yl]-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadeca-8,10-diene

There total 14 articles about 14-[(Z)-5,6-Dimethylhept-3-en-2-yl]-2,15-dimethylpentacyclo[8.7.0.02,7.05,7.011,15]heptadeca-8,10-diene 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%

(22E,24S)-24-methylcholesta-5,7,22-trien-3β-ol (57760-53-9) → 3α,5α-cycloergosta-6,8(14),22-triene (24352-51-0)

Guidance literature:

With morpholinosulfur trifluoride; In dichloromethane; at 5 ℃; for 0.166667h; or 2-chloro-1,1,2-trifluoroethylamine;

DOI:10.1007/BF00574260

Reference yield: 60.0%

(22E)-3α,5-cyclo-5α-ergosta-7,22-dien-6β-one (3037-46-5) → (22E)-3α,5-cyclo-5α-ergosta-6,8(14),22-triene (24352-51-0) + (22E)-3α,5-cyclo-5α-ergosta-22-en-6-one (3152-46-3) + (22E)-3α,5-cyclo-5α,14β-ergosta-22-en-6-one

Guidance literature:

With tetrabutylammonium tetrafluoroborate; trifluoroacetic acid; In N,N-dimethyl-formamide; Electrolysis;

DOI:10.1039/b100342i

Reference yield: 55.0%

(22E)-3α,5-cyclo-5α-ergosta-7,22-dien-6β-one (3037-46-5) → (22E)-3α,5-cyclo-5α-ergosta-6,8(14),22-triene (24352-51-0) + (22E)-3α,5-cyclo-5α-ergosta-22-en-6-one (3152-46-3)

Guidance literature:

With lithium perchlorate; benzoic acid; In N,N-dimethyl-formamide; Electrolysis;

DOI:10.1039/b100342i

upstream raw materials:

Ergosterol

acetic anhydride

p-toluenesulfonyl chloride

phosphorodichloridic acid ergosta-5,7,22t-trien-3β-yl ester

Downstream raw materials:

Ergosterol