cis-1,5-Dimethylbicyclo[3.3.0]octane-3,7-dione

Base Information

• Chemical Name: cis-1,5-Dimethylbicyclo[3.3.0]octane-3,7-dione
• CAS No.: 21170-10-5
• Molecular Formula: C10H14 O2
• Molecular Weight: 166.22
• Hs Code.: 2914290090
• European Community (EC) Number: 244-255-8
• NSC Number: 634714,254944
• DSSTox Substance ID: DTXSID70175411
• Nikkaji Number: J364.638F,J226.157J
• Wikidata: Q72505484
• Mol file: 21170-10-5.mol

Synonyms:21170-10-5;cis-1,5-Dimethylbicyclo[3.3.0]octane-3,7-dione;3a,6a-dimethyl-1,3,4,6-tetrahydropentalene-2,5-dione;3a,6a-dimethylperhydropentalene-2,5-dione;cis-3a,6a-Dimethyltetrahydropentalene-2,5(1H,3H)-dione;cis-Tetrahydro-3a,6a-dimethylpentalene-2,5(1H,3H)-dione;3a,6a-Dimethyltetrahydro-2,5(1H,3H)-pentalenedione;NSC634714;(3ar,6ar)-3a,6a-dimethyl-octahydropentalene-2,5-dione;53731-21-8;NSC254944;Maybridge1_002437;1,5-dimethylbicyclo[3.3.0]octane-3,7-dione;DivK1c_001189;SCHEMBL2706623;SCHEMBL14016355;HMS548G17;DTXSID70175411;(3ar,6ar)-3a,6a-dimethyltetrahydropentalene-2,5(1H,3H)-dione;EINECS 244-255-8;MFCD00003772;AKOS006230082;AKOS016013571;NSC 254944;NSC-254944;NSC-634714;PS-3177;CDS1_000149;BP-11491;FT-0600922;EN300-7395754;A815183;5-Ethyl-3',5'-bis-(4-chlorobenzoyl)-2'-beta-deoxyuridine;cis-1,5-Dimethylbicyclo[3.3.0]octane-3,7-dione, >=98%;5-AMINO-4-CYANO-3-METHYL-THIOPHENE-2-CARBOXYLICACIDETHYLESTER

Chemical Property of cis-1,5-Dimethylbicyclo[3.3.0]octane-3,7-dione

Chemical Property:

• Vapor Pressure: 0.0145mmHg at 25°C
• Melting Point: 228-230oC(lit.)
• Refractive Index: 1.4930 (estimate)
• Boiling Point: 257.5°C at 760 mmHg
• Flash Point: 95°C
• PSA: 34.14000
• Density: 1.142g/cm³
• LogP: 1.72480
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 166.099379685
• Heavy Atom Count: 12
• Complexity: 221

Purity/Quality:

97% ^*data from raw suppliers

cis-1,5-Dimethylbicyclo[3.3.0]octane-3,7-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CC(=O)CC1(CC(=O)C2)C

Technology Process of cis-1,5-Dimethylbicyclo[3.3.0]octane-3,7-dione

There total 2 articles about cis-1,5-Dimethylbicyclo[3.3.0]octane-3,7-dione 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: 82.0%

1,5-dimethyl 2,4,6,8-tetramethoxycarbonylbicyclo[3.3.0]octane-3,7-dione (21170-09-2) → 1,5-dimethylbicyclo<3.3.0>octane-3,7-dione (21170-10-5)

Guidance literature:

In water; acetic acid; for 7h; Heating;

DOI:10.1021/ja00372a016

Reference yield:

→ 1,5-dimethylbicyclo<3.3.0>octane-3,7-dione (21170-10-5)

Guidance literature:

1,3,4,6-Tetramethoxycarbonyl-7,8-dimethyl-cis-pentalandion-(2,5)-isomerengemisch, Hydrolyse;

DOI:10.1016/S0040-4039(00)72784-5

Reference yield: 84.0%

1,5-dimethylbicyclo<3.3.0>octane-3,7-dione (21170-10-5) + thiophenol (108-98-5) → 1,5-Dimethyl-3,7,7-tris(phenylthio)bicyclo<3.3.0>oct-2-en (116504-56-4)

Guidance literature:

With titanium tetrachloride; In dichloromethane; at 0 ℃; for 2h;

upstream raw materials:

1,5-dimethyl 2,4,6,8-tetramethoxycarbonylbicyclo[3.3.0]octane-3,7-dione

Downstream raw materials:

1,5-dimethyl-3-phenyl-bicyclo<3.3.0>oct-2-en-7-on

1,5-dimethyl-3,7-diphenyl-bicyclo<3.3.0>octa-2,7-dien

1,5-dimethyl-3,7-diphenyl-bicyclo<3.3.0>octa-2,6-dien

1,5-dimethyl-3,7-dimethylidenebicyclo<3.3.0>octane