Cyclododecanecarboxylic acid

Base Information

• Chemical Name: Cyclododecanecarboxylic acid
• CAS No.: 884-36-6
• Molecular Formula: C13H24 O2
• Molecular Weight: 212.332
• Hs Code.: 2916209090
• European Community (EC) Number: 212-937-4
• DSSTox Substance ID: DTXSID60237017
• Nikkaji Number: J195.181E
• Wikidata: Q83119099
• Mol file: 884-36-6.mol

Synonyms:Cyclododecanecarboxylic acid;884-36-6;EINECS 212-937-4;cyclododecanecarboxylic;SCHEMBL1873055;DTXSID60237017;AKOS009159275;Cyclododecanecarboxylic acid, >=97.0%

Chemical Property of Cyclododecanecarboxylic acid

Chemical Property:

• Vapor Pressure: 1.34E-05mmHg at 25°C
• Melting Point: 97-98 °C(lit.)
• Boiling Point: 342.7°C at 760 mmHg
• PKA: 4.90±0.20(Predicted)
• Flash Point: 164°C
• PSA: 37.30000
• Density: 0.943g/cm³
• LogP: 3.99190
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 212.177630004
• Heavy Atom Count: 15
• Complexity: 165

Purity/Quality:

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

Cyclododecanecarboxylic acid ≥97.0% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCCCCC(CCCCC1)C(=O)O
• Uses: Cyclododecanecarboxylic acid may be used in chemical synthesis studies.

Technology Process of Cyclododecanecarboxylic acid

There total 17 articles about Cyclododecanecarboxylic acid 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: 77.0%

2-cyclododecylacetonitrile (21963-16-6) → cyclododecanecarboxylic acid (884-36-6)

Guidance literature:

With potassium tert-butylate; oxygen; 18-crown-6 ether; In tetrahydrofuran; at 25 ℃; for 72h;

DOI:10.1021/jo01306a018

Reference yield: 64.0%

carbon monoxide (201230-82-2) + (E)-Cyclododecen (1486-75-5) → cyclododecanecarboxylic acid (884-36-6)

Guidance literature:

With hydrogenchloride; oxygen; copper dichloride; palladium dichloride; In tetrahydrofuran; for 18h; under 760 Torr; Ambient temperature;

DOI:10.1039/c39830001270

Reference yield: 62.0%

carbon dioxide (124-38-9,18923-20-1) + chlorocyclododecane (34039-83-3) → cyclododecanecarboxylic acid (884-36-6)

Guidance literature:

With manganese; 2,9-dibutyl-3,4,7,8-tetramethyl-1,10-phenanthroline; NiBr₂(monoglyme)2; lithium chloride; In N,N-dimethyl-formamide; for 40h; under 760.051 Torr; Schlenk technique; Heating;

DOI:10.1021/jacs.6b04088

upstream raw materials:

carbon dioxide

carbon monoxide

cyclododecene

formyl cyclododecane

Downstream raw materials:

formyl cyclododecane

cyclododecylcarboxaldehyde 2,4-dinitro-phenylhydrazone

phenylcyclododecane

cyclododecanecarbonyl-tetrakis(N^γ-trichloroethoxycarbonyl)polymyxin B (2-10)

Refernces

• 1、 Barton,Csuhai,Doller. "The carboxylation of saturated hydrocarbons by Gif systems (Fe0/CO/O2 and Cu0/CO/O2 in pyridine-acetic acid)". . p. 4389 - 4392. Retrieved 2007/10/02.
• 2、 Alper, Howard,Woell, James B.,Despeyroux, Bertrand,Smith, David J. H.. "The Regiospecific Palladium Catalysed Hydrocarboxylation of Alkenes under Mild Conditions". . p. 1270 - 1271. Retrieved 2007/10/02.