4-(1,1-Dimethylethyl)cyclohexyl formate

Base Information

• Chemical Name: 4-(1,1-Dimethylethyl)cyclohexyl formate
• CAS No.: 68039-42-9
• Molecular Formula: C11H20O2
• Molecular Weight: 184.279
• European Community (EC) Number: 268-258-9
• NSC Number: 21826
• DSSTox Substance ID: DTXSID10867449
• Nikkaji Number: J183.094E
• Mol file: 68039-42-9.mol

Synonyms:4-t-Butylcyclohexyl formate;68039-42-9;4-(1,1-Dimethylethyl)cyclohexyl formate;p-t-Butylcyclohexyl formate;Cyclohexanol, 4-(1,1-dimethylethyl)-, formate;Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-formate;EINECS 268-258-9;SCHEMBL503730;(4-tert-Butylcyclohexyl)formate;DTXSID10867449;NSC21826;NSC 21826;NSC-21826;P-TERT-BUTYLCYCLOHEXYL FORMATE;Cyclohexanol,1-dimethylethyl)-, formate;Formic acid 4-tert-butylcyclohexyl ester

Chemical Property of 4-(1,1-Dimethylethyl)cyclohexyl formate

Chemical Property:

• Vapor Pressure: 0.07mmHg at 25°C
• Boiling Point: 229.3°C at 760 mmHg
• Flash Point: 86.8°C
• PSA: 26.30000
• Density: 0.93g/cm³
• LogP: 3.40020
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 184.146329876
• Heavy Atom Count: 13
• Complexity: 161

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)C1CCC(CC1)OC=O

Technology Process of 4-(1,1-Dimethylethyl)cyclohexyl formate

There total 5 articles about 4-(1,1-Dimethylethyl)cyclohexyl 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: 61.0%

formic acid (64-18-6) + 4-tercbutyl-cyclohexanone (98-53-3) → cis-4-tert-butylcyclohexyl formate (68039-42-9) + Formic acid 4-tert-butyl-cyclohexyl ester

Guidance literature:

(η⁵-C4Ph4COHOC4Ph4-η⁵)(μ-H)(CO)4Ru2; at 100 ℃; for 1h;

DOI:10.1016/0022-328X(95)05995-2

Reference yield: 30.0%

4-(tert-butyl)cyclohexyl 4-methylbenzenesulfonate (77242-43-4) → 4-tert-butylcylohexene (2228-98-0) + 4-t-butylcyclohexyl formate (68039-42-9)

Guidance literature:

With water; N,N-dimethyl-formamide; at 100 ℃; for 12h;

DOI:10.1080/00397919608003708

Reference yield: 21.0%

4-(tert-butyl)cyclohexyl 4-methylbenzenesulfonate (77242-43-4) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4-tert-butylcylohexene (2228-98-0) + 4-t-butylcyclohexyl formate (68039-42-9)

Guidance literature:

With water; at 100 ℃; for 12h;

DOI:10.1080/00397919608003708

upstream raw materials:

formic acid

4-tercbutyl-cyclohexanone

4-(tert-butyl)cyclohexyl 4-methylbenzenesulfonate

N,N-dimethyl-formamide

Downstream raw materials:

cis,trans-<(4-tert-butylcyclohexyl)oxy>triethylsilane

4-(1,1-dimethylethyl)-cyclohexanol

1-tert-butyldimethylsilyloxy-4-tert-butylcyclohexane

Refernces

• 1、 Honda, Toshio,Ishikawa, Fumihiro. "One-step conversion of formate esters to O-silyl ethers by means of samarium diiodide in the presence of chlorosilane reagents". . p. 3323 - 3328. Retrieved 2007/10/03.
• 2、 Suri,Rodgers,Radhakrishnan,Nair. "DMF as a formate anion equivalent: Formolysis of tosylates in aqueous DMF". . p. 1031 - 1040. Retrieved 2007/10/03.