Cyclododecaneformylcarboxylic acid

Base Information

• Chemical Name: Cyclododecaneformylcarboxylic acid
• CAS No.: 5037-22-9
• Molecular Formula: C13H24 O
• Molecular Weight: 196.333
• Hs Code.: 2912299000
• European Community (EC) Number: 225-731-4
• NSC Number: 524962
• UNII: S64SQQ4UJR
• DSSTox Substance ID: DTXSID50198421
• Nikkaji Number: J203.265A
• Wikidata: Q83071200
• Mol file: 5037-22-9.mol

Synonyms:cyclododecanecarbaldehyde;5037-22-9;Cyclododecaneformylcarboxylic acid;Cyclododecanecarboxaldehyde;S64SQQ4UJR;EINECS 225-731-4;NSC-524962;NSC524962;cyclododecancarbaldehyd;UNII-S64SQQ4UJR;cyclododecane carboxaldehyde;SCHEMBL329469;DTXSID50198421;AKOS015258588;NSC 524962;CS-0258303;EN300-697248;Z1268606432

Chemical Property of Cyclododecaneformylcarboxylic acid

Chemical Property:

• Vapor Pressure: 0.00207mmHg at 25°C
• Boiling Point: 290.5°Cat760mmHg
• Flash Point: 102.7°C
• PSA: 17.07000
• Density: 0.894g/cm³
• LogP: 4.10620
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 196.182715385
• Heavy Atom Count: 14
• Complexity: 130

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCCCC(CCCCC1)C=O

Technology Process of Cyclododecaneformylcarboxylic acid

There total 18 articles about Cyclododecaneformylcarboxylic 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: 98.0%

(isocyanomethylene)cyclododecane → formyl cyclododecane (5037-22-9)

Guidance literature:

With hydrogenchloride; for 12h; Ambient temperature;

DOI:10.1002/recl.19871060501

Reference yield: 94.0%

1-oxaspiro[2.11]tetradecane (33059-17-5) → formyl cyclododecane (5037-22-9)

Guidance literature:

methylaluminium bis(4-bromo-2,6-di-tert.-butylphenoxide); In dichloromethane; 1.) -78 deg C, 2 h; 2.) -20 deg C, 0.3 h;

DOI:10.1016/S0040-4039(01)93811-0

Reference yield: 93.0%

<(cyclododecylidene)methoxy>diethylmethylsilane → formyl cyclododecane (5037-22-9)

Guidance literature:

With potassium fluoride; In methanol; at 25 ℃; for 1h;

DOI:10.1021/ja00283a035

upstream raw materials:

hydroxymethylcyclododecane

cyclododecanecarbonitrile

(Z)-Cyclododec-1-enecarbonitrile

1-oxaspiro[2.11]tetradecane

Downstream raw materials:

3-cyclododecylpropanenitrile

cyclododecene

cyclododecane

hydroxymethylcyclododecane

Refernces

• 1、 Yoneyama, Hiroki,Numata, Masahiro,Uemura, Kenji,Usami, Yoshihide,Harusawa, Shinya. "Transformation of Carbonyl Compounds into Homologous Alkynes under Neutral Conditions: Fragmentation of Tetrazoles Derived from Cyanophosphates". . p. 5538 - 5556. Retrieved 2017/06/07.
• 2、 Pirrung, Michael C.,Tepper, Ronald J.. "Photochemistry of Substituted Benzoylformate Esters. A Convenient Method for the Photochemical Oxidation of Alcohols". . p. 2461 - 2465. Retrieved 2007/10/02.