5,6-Dibromohexahydro-2-benzofuran-1,3-dione

Base Information

• Chemical Name: 5,6-Dibromohexahydro-2-benzofuran-1,3-dione
• CAS No.: 23893-84-7
• Molecular Formula: C₈H₈Br₂O₃
• Molecular Weight: 311.958
• European Community (EC) Number: 245-931-5
• NSC Number: 167961,146602
• DSSTox Substance ID: DTXSID60946692
• Nikkaji Number: J180.726I
• Mol file: 23893-84-7.mol

Synonyms:23893-84-7;5,6-dibromohexahydro-2-benzofuran-1,3-dione;5,6-Dibromohexahydroisobenzofuran-1,3-dione;4,5-Dibromohexahydrophthalic anhydride;5,6-dibromo-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione;EINECS 245-931-5;C8H8Br2O3;NSC146602;C8-H8-Br2-O3;SCHEMBL10929898;DTXSID60946692;MFCD08445355;NSC167961;STK689842;AKOS005172545;NSC 167961;NSC-146602;NSC-167961;AS-65688;5,6-dibromohexahydro-1,3-isobenzofurandione;CS-0314181;FT-0683296;5,6-dibromo-octahydro-2-benzofuran-1,3-dione;D93317;A912736

Chemical Property of 5,6-Dibromohexahydro-2-benzofuran-1,3-dione

Chemical Property:

• Vapor Pressure: 7.05E-07mmHg at 25°C
• Boiling Point: 408.4°Cat760mmHg
• Flash Point: 200.8°C
• PSA: 43.37000
• Density: 2.032g/cm³
• LogP: 1.62300
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 311.88197
• Heavy Atom Count: 13
• Complexity: 240

Purity/Quality:

97% ^*data from raw suppliers

5,6-Dibromohexahydro-2-benzofuran-1,3-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2C(CC(C1Br)Br)C(=O)OC2=O

Technology Process of 5,6-Dibromohexahydro-2-benzofuran-1,3-dione

There total 2 articles about 5,6-Dibromohexahydro-2-benzofuran-1,3-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:

cis-1,2,3,6-tetrahydrophthalic anhydride (935-79-5) → trans-4,5-Dibromocyclohexane-cis-1,2-dicarboxylic acid anhydride (23893-84-7,148650-79-7)

Guidance literature:

With bromine; acetic acid;

Reference yield:

→ 4c,5t-Dibrom-cyclohexan-1r,2c-dicarbonsaeure-anhydrid (23893-84-7,148650-79-7)

Guidance literature:

Cyclohex-4-en-1r,2c-dicarbonsaeure-anhydrid, Brom ;

Reference yield:

trans-4,5-Dibromocyclohexane-cis-1,2-dicarboxylic acid anhydride (23893-84-7,148650-79-7) → (1S,2S,4S,5R)-1-Bromo-2-fluoro-4,5-bis-trifluoromethyl-cyclohexane + trans-1,2-Dibromo-cis-4,5-bis(trifluoromethyl)cyclohexane + (3aS,5R,6R,7aR)-5-Bromo-1,1,3,3,6-pentafluoro-octahydro-isobenzofuran + (3aS,5S,6S,7aR)-5-Bromo-1,1,3,3,6-pentafluoro-octahydro-isobenzofuran

Guidance literature:

With sulfur tetrafluoride; hydrogen fluoride; at 70 - 80 ℃; for 96h; Title compound not separated from byproducts;

DOI:10.1016/0022-1139(95)03342-4

upstream raw materials:

cis-1,2,3,6-tetrahydrophthalic anhydride

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