5,9-Methanobenzocycloocten-11-one, 1,2,3,4,5,6,7,8,9,10-decahydro-10-methyl-

Base Information

• Chemical Name: 5,9-Methanobenzocycloocten-11-one, 1,2,3,4,5,6,7,8,9,10-decahydro-10-methyl-
• CAS No.: 22690-27-3
• Molecular Formula: C14H20 O
• Molecular Weight: 204.312
• European Community (EC) Number: 245-158-3
• DSSTox Substance ID: DTXSID4051877
• Nikkaji Number: J286.272G
• Mol file: 22690-27-3.mol

Synonyms:5,9-Methanobenzocycloocten-11-one, 1,2,3,4,5,6,7,8,9,10-decahydro-10-methyl-;22690-27-3;EINECS 245-158-3;1,2,3,4,5,6,7,8,9,10-Decahydro-5,9-methanobenzocycloocten-11-one;8-methyltricyclo[7.3.1.02,7]tridec-2(7)-en-13-one;DTXSID4051877;SCHEMBL20608631;1,2,3,4,5,6,7,8,9,10 - decahydro - 5,9 - methanobenzocycloocten - 11 - one;1,2,3,4,5,6,7,8,9,10-Decahydro-10-methyl-5,9-methanobenzocycloocten-11-one

Chemical Property of 5,9-Methanobenzocycloocten-11-one, 1,2,3,4,5,6,7,8,9,10-decahydro-10-methyl-

Chemical Property:

• Vapor Pressure: 0.00023mmHg at 25°C
• Melting Point: 128 °C
• Boiling Point: 325.4°Cat760mmHg
• Flash Point: 138.6°C
• Density: 1.04g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 204.151415257
• Heavy Atom Count: 15
• Complexity: 326

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2CCCC(C2=O)C3=C1CCCC3

Technology Process of 5,9-Methanobenzocycloocten-11-one, 1,2,3,4,5,6,7,8,9,10-decahydro-10-methyl-

There total 4 articles about 5,9-Methanobenzocycloocten-11-one, 1,2,3,4,5,6,7,8,9,10-decahydro-10-methyl- 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:

(+/-)-4a-hydroxy-10t-methyl-(4ac,10at)-dodecahydro-5r,9c-methano-benzocycloocten-11-one (1614-94-4,51704-49-5,129312-83-0) → (+/-)-10t-methyl-1,2,3,4,5,6,7,8,9,10-decahydro-5r,9c-methano-benzocycloocten-11-one (22690-27-3,55155-97-0,129312-88-5)

Guidance literature:

With hydrogenchloride; benzene;

Reference yield:

2-hydroxy-8-methyl-tricyclo<7.3.1.02,7>tridecan-13-one (1614-94-4) → (+/-)-(1R*,8R*,9S*)-8-methyltricyclo<7.3.1.02,7>tridec-2,7-en-13-one (22690-27-3) + 8-methyl-tricyclo[7.3.1.02,7]tridec-2-en-13-one

Guidance literature:

With phosphoric acid; at 60 ℃; Title compound not separated from byproducts;

DOI:10.1023/A:1013423205456

Reference yield:

(+/-)-(1R*,2S*,7S*,9S*)-2-hydroxy-8-methyltricyclo<7.3.1.02,7>tridecan-13-one (1614-94-4,51704-49-5,129312-83-0) → (+/-)-(1R*,8R*,9S*)-8-methyltricyclo<7.3.1.02,7>tridec-2,7-en-13-one (22690-27-3) + (+/-)-(1R*,2R*,9S*)-8-methyltricyclo<7.3.1.02,7>tridec-7-en-13-one (434284-31-8) + (+/-)-(1R*,7S*,8S*,9S*)-8-methyltricyclo<7.3.1.02,7>tridec-2-en-13-one (110180-01-3,129312-87-4)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; Title compound not separated from byproducts; 1.) 3 h, 2.) reflux, 2 h;

upstream raw materials:

(+/-)-(1R^*,2S^*,7S^*,9S^*)-2-hydroxy-8-methyltricyclo<7.3.1.0^2,7>tridecan-13-one

2-hydroxy-8-methyl-tricyclo<7.3.1.0^2,7>tridecan-13-one

(+/-)-4a-hydroxy-10t-methyl-(4ac,10at)-dodecahydro-5r,9c-methano-benzocycloocten-11-one

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