Cycloundecanecarboxylic acid

Base Information

• Chemical Name: Cycloundecanecarboxylic acid
• CAS No.: 831-67-4
• Molecular Formula: C12H22 O2
• Molecular Weight: 198.305
• Hs Code.: 2916209090
• European Community (EC) Number: 212-609-0
• NSC Number: 82299
• DSSTox Substance ID: DTXSID90232171
• Nikkaji Number: J195.096G
• Wikidata: Q83113206
• Mol file: 831-67-4.mol

Synonyms:Cycloundecanecarboxylic acid;831-67-4;Cycloundecanecarboxylicacid;EINECS 212-609-0;NSC82299;cycloundecanecarboxylic;cycloundecancarbonsäure;SCHEMBL8365391;DTXSID90232171;NSC 82299;NSC-82299;AKOS006274548;FT-0624305;A840517

Chemical Property of Cycloundecanecarboxylic acid

Chemical Property:

• Vapor Pressure: 4.65E-05mmHg at 25°C
• Boiling Point: 325.4°C at 760 mmHg
• Flash Point: 155.5°C
• PSA: 37.30000
• Density: 0.956g/cm³
• LogP: 3.60180
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 198.161979940
• Heavy Atom Count: 14
• Complexity: 154

Purity/Quality:

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

CYCLOUNDECANECARBOXYLIC ACID ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCCCC(CCCC1)C(=O)O

Technology Process of Cycloundecanecarboxylic acid

There total 10 articles about Cycloundecanecarboxylic 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: 50.0%

cyclododecanone (830-13-7) → cycloundecanecarboxylic acid (831-67-4)

Guidance literature:

With poly(bisanthracenyl) diselenide; In tert-butyl alcohol; for 96h; Product distribution; Heating; other reaction time, other amount of reagent;

DOI:10.1080/00397919908086230

Reference yield: 48.0%

diphenyl (cycloundecyl-1-pyrrolidinylmethylene)phosphoramidate → cycloundecanecarboxylic acid (831-67-4)

Guidance literature:

With potassium hydroxide; In ethylene glycol; for 24h; Reflux;

DOI:10.15227/orgsyn.062.0191

Reference yield:

2-bromocyclododecan-1-one (31236-94-9) → 1,12-dodecanedioic acid (693-23-2) + 2-hydroxycyclododecanone (19025-38-8,140134-30-1) + cycloundecanecarboxylic acid (831-67-4) + cyclododecanone (830-13-7)

Guidance literature:

With potassium hydroxide; In water; at 75 ℃; for 5h; Yield given;

upstream raw materials:

2-bromocyclododecan-1-one

2-chlorocyclododecanone

cyclododecanone

1,2-epoxycyclododecane

Downstream raw materials:

Cycloundecylmethylketoxim-pikrat

Refernces

• 1、 Zakharkin, L. I.,Guseva, V. V.. "NEW METHOD FOR THE PRODUCTION OF 1,4-DIOXACYCLOHEXADECANE-5,16-DIONE FROM CYCLODECANONE". . p. 115 - 118. Retrieved 2007/10/02.