3,3a,6,6a-Tetrahydro-3a,6a-dimethylpentalene-2,5(1H,4H)-dione

Base Information

• Chemical Name: 3,3a,6,6a-Tetrahydro-3a,6a-dimethylpentalene-2,5(1H,4H)-dione
• CAS No.: 53731-21-8
• Molecular Formula: C₁₀H₁₄O₂
• Molecular Weight: 166.22
• Hs Code.: 2914399090
• Mol file: 53731-21-8.mol

Synonyms:Bicyclo[3.3.0]octan-3,7-dion;1,5-Dimethyl-bicyclo[3.3.0]octan-3,7-dion;1,5-Dimethyl-bicyclo[3.3.0]octa-3,7-dion;1,5-Dimethylbicyclo[3.3.0]octan-3,7-dion;

Chemical Property of 3,3a,6,6a-Tetrahydro-3a,6a-dimethylpentalene-2,5(1H,4H)-dione

Chemical Property:

• PSA: 34.14000
• LogP: 1.72480

Purity/Quality:

99% ^*data from raw suppliers

3A,6A-DIMETHYL-TETRAHYDRO-PENTALENE-2,5-DIONE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3,3a,6,6a-Tetrahydro-3a,6a-dimethylpentalene-2,5(1H,4H)-dione

There total 3 articles about 3,3a,6,6a-Tetrahydro-3a,6a-dimethylpentalene-2,5(1H,4H)-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: 75.0%

3-oxopentanedioic acid dimethyl ester (1830-54-2) + dimethylglyoxal (431-03-8) → 1,5-Dimethylbicyclo<3.3.0>octane-3,7-dione (53731-21-8)

Guidance literature:

3-oxopentanedioic acid dimethyl ester; dimethylglyoxal; With sodium hydrogencarbonate; In water; for 72h;

With hydrogenchloride; acetic acid; for 24h; Reflux;

Reference yield:

1,5-Dimethyl-2,4,6,8-tetramethoxycarbonylbicyclo<3.3.0>octa-3,7-dion (21170-09-2) → 1,5-Dimethylbicyclo<3.3.0>octane-3,7-dione (53731-21-8)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/ja00745a026

Reference yield:

1,5-Dimethyl-3,7-dioxo-tetracyclo<3.3.0.02,8.04,6>octan-2,4,6,8-tetracarbonsaeuretetramethylester (79150-92-8) → 1,5-Dimethylbicyclo<3.3.0>octane-3,7-dione (53731-21-8)

Guidance literature:

With acetic acid; zinc;

upstream raw materials:

1,5-Dimethyl-2,4,6,8-tetramethoxycarbonylbicyclo<3.3.0>octa-3,7-dion

1,5-Dimethyl-3,7-dioxo-tetracyclo<3.3.0.0^2,8.0^4,6>octan-2,4,6,8-tetracarbonsaeuretetramethylester

3-oxopentanedioic acid dimethyl ester

dimethylglyoxal

Downstream raw materials:

r-1,c-5-Dimethyl-t-3,c-7-diphenylbicyclo<3.3.0>octan-3,7-diol

r-1,c-5-Dimethyl-t-3,t-7-diphenylbicyclo<3.3.0>octan-3,7-diol

r-1,c-5-Dimethyl-c-3,c-7-diphenylbicyclo<3.3.0>octan-3,7-diol

r-1,c-5-Dimethyl-7-oxo-t-3-(phenylthio)bicyclo<3.3.0>octan-3-carbonitril

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