1,2-Cycloheptanedione, 3,3,7,7-tetramethyl-

Base Information

• Chemical Name: 1,2-Cycloheptanedione, 3,3,7,7-tetramethyl-
• CAS No.: 68347-39-7
• Molecular Formula: C11H18O2
• Molecular Weight: 182.2594
• DSSTox Substance ID: DTXSID60218482
• Wikidata: Q83095362
• Mol file: 68347-39-7.mol

Synonyms:68347-39-7;1,2-Cycloheptanedione, 3,3,7,7-tetramethyl-;3,3,7,7-tetramethyl-cycloheptane-1,2-dione;1,2-Cycloheptanedione,3,3,7,7-tetramethyl-;SCHEMBL966903;DTXSID60218482

Chemical Property of 1,2-Cycloheptanedione, 3,3,7,7-tetramethyl-

Chemical Property:

• Vapor Pressure: 0.0335mmHg at 25°C
• Boiling Point: 242.7°Cat760mmHg
• Flash Point: 91°C
• Density: 0.939g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 182.130679813
• Heavy Atom Count: 13
• Complexity: 223

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(CCCC(C(=O)C1=O)(C)C)C

Technology Process of 1,2-Cycloheptanedione, 3,3,7,7-tetramethyl-

There total 4 articles about 1,2-Cycloheptanedione, 3,3,7,7-tetramethyl- 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: 78.0%

2-Methoxy-4,4,8,8-tetramethyl-5,6,7,8-tetrahydro-4H-cyclohepta[1,3]dithiole → 3,3,7,7-Tetramethyl-1,2-cycloheptanedione (68347-39-7) + 2-Methoxy-5,5,9,9-tetramethyl-[1,3]dithiecane-4,10-dione

Guidance literature:

With polymer-bound Rose Bengal; oxygen; In dichloromethane; at -50 ℃; for 24h; Irradiation;

DOI:10.1039/c39840000741

Reference yield: 74.0%

1,2-bis(trimethylsilyloxy)-3,3,7,7-tetramethylcyclohept-1-ene (32399-72-7) → 3,3,7,7-Tetramethyl-1,2-cycloheptanedione (68347-39-7)

Guidance literature:

With bromine; In tetrachloromethane; at 20 ℃; for 0.75h;

DOI:10.1002/ejoc.201101576

Reference yield:

2-hydroxy-3,3,7,7-tetramethyl-cycloheptanone (86300-57-4) → 3,3,7,7-Tetramethyl-1,2-cycloheptanedione (68347-39-7)

Guidance literature:

With chromium(VI) oxide;

DOI:10.1021/ja01168a007

upstream raw materials:

2-hydroxy-3,3,7,7-tetramethyl-cycloheptanone

1,2-bis(trimethylsilyloxy)-3,3,7,7-tetramethylcyclohept-1-ene

diethyl 2,2,6,6-tetramethylheptanedioate

Downstream raw materials:

(4-Nitro-phenyl)-(2,2,6,6-tetramethyl-bicyclo[5.1.0]oct-1⁽⁷⁾-en-8-ylidene)-amine

3,3,7,7-Tetramethyl-cycloheptin