Cyclohexanecarboxylate

Base Information

• Chemical Name: Cyclohexanecarboxylate
• CAS No.: 3198-23-0
• Molecular Formula: C7H11 O2
• Molecular Weight: 127.163
• DSSTox Substance ID: DTXSID50953870
• Wikidata: Q27103345

Synonyms:Cyclohexanecarboxylate;3198-23-0;Cyclohexanecarboxylic acid, ion(1-);CCRIS 7682;CHEBI:27804;DTXSID50953870;Q27103345

Chemical Property of Cyclohexanecarboxylate

Chemical Property:

• Vapor Pressure: 0.02mmHg at 25°C
• Boiling Point: 233°Cat760mmHg
• Flash Point: 107°C
• Density: g/cm³
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 127.075904589
• Heavy Atom Count: 9
• Complexity: 98

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C(=O)[O-]

Technology Process of Cyclohexanecarboxylate

There total 11 articles about Cyclohexanecarboxylate 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:

t-butyl cyclohexanecarboperoxoate (20396-49-0) + methyl p-nitrobenzoate radical anion (619-50-1) → tert-butoxy radical (3141-58-0) + 4-nitrobenzoic acid methyl ester (619-50-1) + cyclohexane carboxylate (3198-23-0)

Guidance literature:

In N,N-dimethyl-formamide; at 25 ℃; Kinetics;

DOI:10.1021/ja0263644

Reference yield:

t-butyl cyclohexanecarboperoxoate (20396-49-0) + 4-cyanobenzaldehyde anion radical (105-07-7) → tert-butoxy radical (3141-58-0) + cyclohexane carboxylate (3198-23-0) + 4-cyanobenzaldehyde (105-07-7)

Guidance literature:

In N,N-dimethyl-formamide; at 25 ℃; Kinetics;

DOI:10.1021/ja0263644

Reference yield:

t-butyl cyclohexanecarboperoxoate (20396-49-0) + 4-(4-Nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-cyclohexanecarboxylic acid methyl ester → tert-butoxy radical (3141-58-0) + cyclohexane carboxylate (3198-23-0) + methyl cis-4-(3-nitrophthaloylamino)cyclohexanecarboxylate

Guidance literature:

In N,N-dimethyl-formamide; at 25 ℃; Kinetics;

DOI:10.1021/ja0263644

upstream raw materials:

cyclohexanecarboxylic acid 4-nitrophenyl ester

benzoate

t-butyl cyclohexanecarboperoxoate

4-cyanobenzaldehyde anion radical

Downstream raw materials:

Zn(((CH₃)2NC₆H₄CH₂NHCH₂CH₂)2NCH₂CH₂NHCH₂(C₁₄H₉))(C₆H₁₁COO)⁽¹⁺⁾

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