Cyclododecyl formate

Base Information

• Chemical Name: Cyclododecyl formate
• CAS No.: 59052-82-3
• Molecular Formula: C13H24 O2
• Molecular Weight: 212.332
• European Community (EC) Number: 261-575-3
• DSSTox Substance ID: DTXSID70866731
• Nikkaji Number: J308.597J
• Wikidata: Q63395577
• Mol file: 59052-82-3.mol

Synonyms:Cyclododecyl formate;59052-82-3;Cyclododecanol formate;Cyclododecanol, formate;Cyclododecanol, 1-formate;EINECS 261-575-3;SCHEMBL2108204;DTXSID70866731;Q63395577

Chemical Property of Cyclododecyl formate

Chemical Property:

• Vapor Pressure: 0.00148mmHg at 25°C
• Refractive Index: 1.456
• Boiling Point: 295.9°C at 760 mmHg
• Flash Point: 120.2°C
• PSA: 26.30000
• Density: 0.92g/cm³
• LogP: 4.46860
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 212.177630004
• Heavy Atom Count: 15
• Complexity: 145

Purity/Quality:

99% ^*data from raw suppliers

CYCLODODECYL FORMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCCCC(CCCCC1)OC=O

Technology Process of Cyclododecyl formate

There total 7 articles about Cyclododecyl formate 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: 96.0%

formic acid (64-18-6) + cyclododecanol (1724-39-6) → cyclododecanyl formate (59052-82-3)

Guidance literature:

With iodine; at 20 ℃; for 1h; neat (no solvent);

DOI:10.1016/S1872-2067(10)60160-X

Reference yield: 95.0%

cyclododecanol (1724-39-6) + formic acid ethyl ester (109-94-4) → cyclododecanyl formate (59052-82-3)

Guidance literature:

With poly(4-vinylpyridinium tribromide); at 20 ℃; for 2.16667h; neat (no solvent);

DOI:10.5012/bkcs.2011.32.4.1399

Reference yield: 92.0%

cyclododecanol (1724-39-6) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → cyclododecanyl formate (59052-82-3)

Guidance literature:

With carbon tetrabromide; tris(2,2'-bipyridyl)ruthenium(II) chloride hexahydrate; sodium bromide; at 25 - 30 ℃; for 24h; Inert atmosphere; visible-light irradiation;

DOI:10.1038/nchem.949

upstream raw materials:

cyclododecanol

chloral

cyclododecyl bromide

N,N-dimethyl-formamide

Refernces

• 1、 Li, Run,Gehrig, Dominik W.,Ramanan, Charusheela,Blom, Paul W. M.,Kohl, Fabien F.,Wagner, Manfred,Landfester, Katharina,Zhang, Kai A. I.. "Visible Light-Mediated Conversion of Alcohols to Bromides by a Benzothiadiazole-Containing Organic Photocatalyst". . p. 3852 - 3859. Retrieved 2019/07/15.
• 2、 Ghorbani-Choghamarani, Arash,Norouzi, Masoomeh. "Preparation of alkyl formates from corresponding alcohols using ethyl formate catalyzed by poly(4-vinylpyridinium tribromide) under neutral and solvent-free conditions". experimental part. p. 1399 - 1402. Retrieved 2011/12/15.