Dodecahydro-[5,5'-biisobenzofuran]-1,1',3,3'-tetraone

Base Information

• Chemical Name: Dodecahydro-[5,5'-biisobenzofuran]-1,1',3,3'-tetraone
• CAS No.: 122640-83-9
• Molecular Formula: C16H18O6
• Molecular Weight: 306.31
• European Community (EC) Number: 878-579-1
• Nikkaji Number: J2.662.142I
• Mol file: 122640-83-9.mol

Synonyms:122640-83-9;Dodecahydro-[5,5'-biisobenzofuran]-1,1',3,3'-tetraone;Dicyclohexyl-3,4,3',4'-tetracarboxylic dianhydride;5-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-5-yl)-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione;C16H18O6;SCHEMBL10051188;SNHKMHUMILUWSJ-UHFFFAOYSA-N;XEA64083;MFCD23134595;AKOS030228075;DS-3327;CS-0162835;D5723;FT-0778084;N10720;A855168;1,1'-Bicyclohexane-3,3',4,4'-tetracarboxylic acid 3,4:3',4'-dianhydride;5-(1,3-dioxo-octahydro-2-benzofuran-5-yl)-octahydro-2-benzofuran-1,3-dione

Chemical Property of Dodecahydro-[5,5'-biisobenzofuran]-1,1',3,3'-tetraone

Chemical Property:

• Melting Point: 208 °C
• Boiling Point: 543.994 °C at 760 mmHg
• Flash Point: 243.925 °C
• PSA: 0.00000
• Density: 1.373 g/cm³
• LogP: 0.00000
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 306.11033829
• Heavy Atom Count: 22
• Complexity: 517

Purity/Quality:

98%, ^*data from raw suppliers

Dodecahydro-[5,5''-biisobenzofuran]-1,1'',3,3''-tetraone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC2C(CC1C3CCC4C(C3)C(=O)OC4=O)C(=O)OC2=O

Technology Process of Dodecahydro-[5,5'-biisobenzofuran]-1,1',3,3'-tetraone

There total 4 articles about Dodecahydro-[5,5'-biisobenzofuran]-1,1',3,3'-tetraone 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: 99.0%

(1R,1'S,3R,3'S,4R,4'S)-Dicyclohexyl-3,3',4,4'-tetracarboxylic acid (390394-90-8,338464-14-5) → (1R,1'S,3R,3'S,4R,4'S)-Dicyclohexyl-3,3',4,4'-tetracarboxylic acid anhydride (392232-02-9,339537-60-9,122640-83-9)

Guidance literature:

With acetic anhydride; at 50 ℃; for 8h;

DOI:10.1515/znb-2001-0210

Reference yield: 85.0%

(1R,1'S,3R,3'S,4S,4'R)-Dicyclohexyl-3,3',4,4'-tetracarboxylic acid (392230-74-9,339537-58-5) → (1R,1'S,3R,3'S,4S,4'R)-Dicyclohexyl-3,3',4,4'-tetracarboxylic acid anhydride (392232-49-4,339537-59-6,122640-83-9)

Guidance literature:

With acetic anhydride; for 3h; Heating;

DOI:10.1515/znb-2001-0210

Reference yield:

Tetramethyl (1R,1'S,3R,3'S,4R,4'S)-dicyclohexyl-3,3',4,4'-tetracarboxylate (392230-72-7,338464-09-8) → (1R,1'S,3R,3'S,4R,4'S)-Dicyclohexyl-3,3',4,4'-tetracarboxylic acid anhydride (392232-02-9,339537-60-9,122640-83-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / aq. NaOH / butan-1-ol / 3 h / Heating

2: 99 percent / Ac₂O / 8 h / 50 °C

With sodium hydroxide; acetic anhydride; In butan-1-ol;

DOI:10.1515/znb-2001-0210

upstream raw materials:

(1R,1'S,3R,3'S,4R,4'S)-Dicyclohexyl-3,3',4,4'-tetracarboxylic acid

Tetramethyl (1R,1'S,3R,3'S,4R,4'S)-dicyclohexyl-3,3',4,4'-tetracarboxylate

(1R,1'S,3R,3'S,4S,4'R)-Dicyclohexyl-3,3',4,4'-tetracarboxylic acid

Tetramethyl (1R,1'S,3R,3'S,4S,4'R)-dicyclohexyl-3,3',4,4'-tetracarboxylate