Cyclohex-4-ene-1,2-dicarbonyl dichloride

Base Information

• Chemical Name: Cyclohex-4-ene-1,2-dicarbonyl dichloride
• CAS No.: 52890-05-8
• Molecular Formula: C₈H₈Cl₂O₂
• Molecular Weight: 207.056
• DSSTox Substance ID: DTXSID00523946
• Mol file: 52890-05-8.mol

Synonyms:52890-05-8;Cyclohex-4-ene-1,2-dicarbonyl dichloride;SCHEMBL8837919;DTXSID00523946

Chemical Property of Cyclohex-4-ene-1,2-dicarbonyl dichloride

Chemical Property:

• PSA: 34.14000
• LogP: 2.09960
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 205.9901349
• Heavy Atom Count: 12
• Complexity: 211

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CCC(C1C(=O)Cl)C(=O)Cl

Technology Process of Cyclohex-4-ene-1,2-dicarbonyl dichloride

There total 4 articles about Cyclohex-4-ene-1,2-dicarbonyl dichloride 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: 95.0%

fumaryl dichloride (627-63-4) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → trans-4-cyclohexene-1,2-dicarbonyl dichloride (41183-19-1,52890-05-8,56000-26-1,91153-21-8)

Guidance literature:

In diethyl ether; for 0.666667h;

DOI:10.1021/jm00391a011

Reference yield:

buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → trans-4-cyclohexene-1,2-dicarbonyl dichloride (41183-19-1,52890-05-8,56000-26-1,91153-21-8)

Guidance literature:

With benzene;

Reference yield:

→ (R)-Cyclohex-4-ene-1,2-dicarbonyl dichloride (41183-19-1,52890-05-8,56000-26-1,91153-21-8)

Guidance literature:

/BRN= 605258/, /BRN= 721342/ nach Ref.1;

DOI:10.1021/ar50095a001

upstream raw materials:

fumaryl dichloride

buta-1,3-diene

Downstream raw materials:

dimethyl trans-cyclohex-4-ene-1,2-dicarboxylate

rac-(trans)-cyclohex-4-ene-1,2-diamine dihydrochloride

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