1,4-Cubanedicarboxylic acid dichloride

Base Information

• Chemical Name: 1,4-Cubanedicarboxylic acid dichloride
• CAS No.: 60462-24-0
• Molecular Formula: C₁₀H₆Cl₂O₂
• Molecular Weight: 229.062
• DSSTox Substance ID: DTXSID101172352
• Nikkaji Number: J642.015J
• Mol file: 60462-24-0.mol

Synonyms:1,4-Cubanedicarboxylic acid dichloride;60462-24-0;DTXSID101172352;Pentacyclo[4.2.0.02,5.03,8.04,7]octane-1,4-dicarbonyl dichloride

Chemical Property of 1,4-Cubanedicarboxylic acid dichloride

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 227.9744848
• Heavy Atom Count: 14
• Complexity: 360

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C12C3C4C1(C5C2C3(C45)C(=O)Cl)C(=O)Cl

Technology Process of 1,4-Cubanedicarboxylic acid dichloride

There total 1 articles about 1,4-Cubanedicarboxylic acid 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:

cubane-1,4-dicarboxylic acid dimethyl ester (29412-62-2) → 1,4-cubanedicarboxylic acid dichloride (60462-24-0)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / methanol; water

2: thionyl chloride

With thionyl chloride; sodium hydroxide; In methanol; water;

DOI:10.1021/acs.jpca.6b04323

Reference yield: 80.0%

1,4-cubanedicarboxylic acid dichloride (60462-24-0) → 1,4-diiodocubane (97229-08-8)

Guidance literature:

With dmap; 1,1,1-trifluoro-2-iodoethane; 2-mercaptopyridine-1-oxide sodium salt; In benzene; for 2.5h; Heating; Irradiation;

DOI:10.1021/jo00109a030

Reference yield: 77.0%

1,4-cubanedicarboxylic acid dichloride (60462-24-0) → cubane (277-10-1)

Guidance literature:

With dmap; 2-mercaptopyridine-1-oxide sodium salt; 2-methylpropan-2-thiol; In tetrahydrofuran; for 1.5h; Heating; Irradiation;

DOI:10.1055/s-1995-3961

upstream raw materials:

cubane-1,4-dicarboxylic acid dimethyl ester

Downstream raw materials:

1,4-diiodocubane

cubane

cubane-1,4-dicarboxylic acid dimethyl ester

Methyl 4-chloro-1-cubanecarboxylate