cyclohexanecarboxylic anhydride

Base Information

• Chemical Name: cyclohexanecarboxylic anhydride
• CAS No.: 22651-87-2
• Molecular Formula: C14H22 O3
• Molecular Weight: 238.327
• European Community (EC) Number: 245-146-8
• NSC Number: 75109
• UNII: CHZ4DJ2FT2
• DSSTox Substance ID: DTXSID90177194
• Nikkaji Number: J286.268I
• Wikidata: Q83047511
• Mol file: 22651-87-2.mol

Synonyms:Cyclohexanecarboxylicacid, anhydride (9CI); Cyclohexanecarboxylic anhydride (8CI); NSC 75109

Chemical Property of cyclohexanecarboxylic anhydride

Chemical Property:

• Vapor Pressure: 2.82E-05mmHg at 25°C
• Refractive Index: 1.4740-1.4780
• Boiling Point: 356.9°C at 760 mmHg
• Flash Point: 161.2°C
• PSA: 43.37000
• Density: 1.082g/cm³
• LogP: 3.21680
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 238.15689456
• Heavy Atom Count: 17
• Complexity: 245

Purity/Quality:

98%,99%, ^*data from raw suppliers

Cyclohexanecarboxylic Anhydride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C(=O)OC(=O)C2CCCCC2

Technology Process of cyclohexanecarboxylic anhydride

There total 17 articles about cyclohexanecarboxylic anhydride 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: 100.0%

Cyclohexanecarboxylic acid (98-89-5) → cyclohexanecarboxylic acid anhydride (22651-87-2)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 23 ℃; for 24h;

DOI:10.3987/COM-08-S(F)46

Reference yield: 92.0%

cyclohexanylcarbonyl chloride (2719-27-9) → cyclohexanecarboxylic acid anhydride (22651-87-2)

Guidance literature:

With N,N-dimethyl-formamide; zinc; In pentane; at 20 ℃; for 2h;

DOI:10.1016/j.tetlet.2008.06.073

Reference yield: 91.0%

cyclohexanylcarbonyl chloride (2719-27-9) + Cyclohexanecarboxylic acid (98-89-5) → cyclohexanecarboxylic acid anhydride (22651-87-2)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 1h; Wavelength; Inert atmosphere;

DOI:10.1039/c9nj01984g

upstream raw materials:

acetic anhydride

Cyclohexanecarboxylic acid

cyclohexanylcarbonyl chloride

Cyclohexanecarbothioic acid S-isopropyl ester

Downstream raw materials:

3β-cyclohexanecarbonyloxy-5α,17βH-pregn-20-yn-17-ol

3β-cyclohexanecarbonyloxy-17βH-pregn-5-en-20-yn-17-ol

cyclohexanecarbonyl peroxide

C₂₀H₂₈N₂O₂

Refernces

• 1、 Gao, Ya-Ya,Zhang, Yu-Hang,Zhang, Shan,Chen, Wei,Bai, Zheng-Wu. "Chiral separation materials based on derivatives of 6-amino-6-deoxyamylose". . p. 899 - 914. Retrieved 2021/10/07.
• 2、 Ghosh, Kiron K.,Uttry, Alexander,Koldemir, Aylin,Ong, Mike,Van Gemmeren, Manuel. "Direct β-C(sp3)-H Acetoxylation of Aliphatic Carboxylic Acids". supporting information. p. 7154 - 7157. Retrieved 2019/09/03.