Mansonone C

Base Information

• Chemical Name: Mansonone C
• CAS No.: 5574-34-5
• Molecular Formula: C15H16O2
• Molecular Weight: 228.2863
• DSSTox Substance ID: DTXSID80204286
• Nikkaji Number: J13.432E
• Wikidata: Q27107297
• Metabolomics Workbench ID: 67676
• ChEMBL ID: CHEMBL508283
• Mol file: 5574-34-5.mol

Synonyms:mansonone C

Chemical Property of Mansonone C

Chemical Property:

• Vapor Pressure: 1.32E-05mmHg at 25°C
• Boiling Point: 367.9°Cat760mmHg
• Flash Point: 152.9°C
• PSA: 34.14000
• Density: 1.103g/cm³
• LogP: 3.28710
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 228.115029749
• Heavy Atom Count: 17
• Complexity: 378

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=C(C=C1)C(C)C)C=C(C(=O)C2=O)C

Technology Process of Mansonone C

There total 9 articles about Mansonone C 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: 46.0%

(2E)-6-(2,3-dimethoxy-4-methylphenyl)-2-methylhept-2-en-1-yl acetate → mansonone C (5574-34-5) + (1SR,4SR)-7,8-dihydroxycalamenene

Guidance literature:

(2E)-6-(2,3-dimethoxy-4-methylphenyl)-2-methylhept-2-en-1-yl acetate; With acetic acid; trifluoroacetic acid; at 70 ℃; for 12h;

With boron tribromide; In dichloromethane; at -78 - 20 ℃;

DOI:10.1021/ol0621194

Reference yield: 35.0%

7-hydroxycadalene (2102-75-2) → mansonone C (5574-34-5)

Guidance literature:

With oxygen; In chloroform; at 40 ℃; for 240h; Irradiation;

DOI:10.1016/S0031-9422(00)98110-X

Reference yield: 30.4%

<5,6'-biguaiazulene>-3,3'-(5H,6'H)-dione (125042-09-3) → mansonone C (5574-34-5) + 5-isopropylidene-3,8-dimethyl-1(5H)-azulenone (111873-87-1) + 5-isopropyl-3,7-dimethyl-1H-inden-1-one (91813-77-3) + 3(6H)-guaiazulenone

Guidance literature:

With oxygen; In chloroform; at 25 ℃; for 24h; Further byproducts given;

DOI:10.1246/bcsj.62.2040

upstream raw materials:

7-hydroxycadalene

<5,6'-biguaiazulene>-3,3'-(5H,6'H)-dione

1-(1,5-dimethylhex-4-en-1-yl)-2,3-dimethoxy-4-methylbenzene