(1,1-Dimethylethoxy)cyclododecane

Base Information

• Chemical Name: (1,1-Dimethylethoxy)cyclododecane
• CAS No.: 77203-01-1
• Molecular Formula: C16H32 O
• Molecular Weight: 240.429
• Hs Code.: 2909209000
• European Community (EC) Number: 278-639-1
• DSSTox Substance ID: DTXSID00868425
• Nikkaji Number: J309.365D
• Mol file: 77203-01-1.mol

Synonyms:(1,1-Dimethylethoxy)cyclododecane;EINECS 278-639-1;77203-01-1;Cyclododecane, (1,1-dimethylethoxy)-;Cyclododecyl tert-butyl ether;TERT-BUTOXYCYCLODODECANE;SCHEMBL9623348;DTXSID00868425

Chemical Property of (1,1-Dimethylethoxy)cyclododecane

Chemical Property:

• Vapor Pressure: 0.00686mmHg at 25°C
• Boiling Point: 279.3°C at 760 mmHg
• Flash Point: 117.4°C
• PSA: 9.23000
• Density: 0.85g/cm³
• LogP: 5.47480
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 240.245315640
• Heavy Atom Count: 17
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC1CCCCCCCCCCC1

Technology Process of (1,1-Dimethylethoxy)cyclododecane

There total 5 articles about (1,1-Dimethylethoxy)cyclododecane 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: 70.0%

tert-butyl methyl ether (1634-04-4) + cyclododecanol (1724-39-6) → tert-butyl cyclododecyl ether (77203-01-1)

Guidance literature:

With sulfuric acid; at 25 ℃; for 8h; Molecular sieve;

DOI:10.1016/j.tetlet.2011.11.108

Reference yield: 70.0%

acetic acid tert-butyl ester (540-88-5) + cyclododecanol (1724-39-6) → tert-butyl cyclododecyl ether (77203-01-1)

Guidance literature:

With perchloric acid; at 25 ℃; for 20h;

DOI:10.1055/s-0029-1219360

Reference yield: 67.0%

cyclododecanol (1724-39-6) + 2,4,6-tris(1,1-dimethylethoxy)-1,3,5-triazine → tert-butyl cyclododecyl ether (77203-01-1)

Guidance literature:

With sodium hydride; scandium tris(trifluoromethanesulfonate); In dichloromethane; mineral oil; at 20 ℃; for 9h;

DOI:10.1002/ejoc.201600663

upstream raw materials:

Cyclododecan-percarbonsaeure-tert.-butylester

acetic acid tert-butyl ester

cyclododecanol

tert-butyl methyl ether

Downstream raw materials:

cyclododecanone

Refernces

• 1、 Salvati, Anna E.,Hubley, Christian T.,Albiniak, Philip A.. "Acid- and isobutylene-free synthesis of t-butyl ethers by in situ formation of 2-t-butoxy-1-methylpyridinium triflate". supporting information. p. 7133 - 7135. Retrieved 2015/01/08.
• 2、 Barge, Alessandro,Occhiato, Ernesto G.,Prandi, Cristina,Scarpi, Dina,Tabasso, Silvia,Venturello, Paolo. "A new, practical and efficient method for protecting alcohols as tert-butyl ethers". experimental part. p. 812 - 816. Retrieved 2010/06/14.