4-Tert-butyl-1,1-dimethoxycyclohexane

Base Information

• Chemical Name: 4-Tert-butyl-1,1-dimethoxycyclohexane
• CAS No.: 944-19-4
• Molecular Formula: C12H24O2
• Molecular Weight: 200.321
• DSSTox Substance ID: DTXSID80448406
• Nikkaji Number: J674.000F
• Wikidata: Q82267378
• Mol file: 944-19-4.mol

Synonyms:4-tert-butyl-1,1-dimethoxycyclohexane;944-19-4;SCHEMBL6162381;DTXSID80448406;MYWHEWYKUYIXJX-UHFFFAOYSA-N;1,1-Dimethoxy-4-tert-butylcyclohexane;4-tert-Butyl-1,1-dimethoxy-cyclohexane

Chemical Property of 4-Tert-butyl-1,1-dimethoxycyclohexane

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 200.177630004
• Heavy Atom Count: 14
• Complexity: 167

Purity/Quality:

95% ^*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)OC

Technology Process of 4-Tert-butyl-1,1-dimethoxycyclohexane

There total 11 articles about 4-Tert-butyl-1,1-dimethoxycyclohexane 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: 100.0%

methanol (67-56-1) + 4-tercbutyl-cyclohexanone (98-53-3) → 4-tert-butyl-1,1-dimethoxy-cyclohexane (944-19-4)

Guidance literature:

With trimethyl orthoformate; at 60 ℃; for 16h; under 6000480 Torr;

DOI:10.1055/s-2005-872229

Reference yield: 98.0%

4-tercbutyl-cyclohexanone (98-53-3) + trimethyl orthoformate (149-73-5) → 4-tert-butyl-1,1-dimethoxy-cyclohexane (944-19-4)

Guidance literature:

With toluene-4-sulfonic acid; In methanol; for 24h;

DOI:10.1021/jo060968z

Reference yield: 57.0%

methanol (67-56-1) + 4-tercbutyl-cyclohexanone (98-53-3) → 4-tert-butyl-1,1-dimethoxy-cyclohexane (944-19-4) + 2-bromo-4-tert-butylcyclohexanone (1076-82-0)

Guidance literature:

With N-Bromosuccinimide; ammonium acetate; at 25 ℃; for 5h;

DOI:10.1039/b315340a

upstream raw materials:

4-tercbutyl-cyclohexanone

trimethyl orthoformate

methanol

8-tert-Butyl-1,4-dioxa-spiro[4.5]decane

Downstream raw materials:

2-trichloroacetyl-4-tert-butylcyclohexanone

methyl 4-(4-tert-butylcyclohexyl)-4-oxobutanoate

2-[2-(4-tert-Butylcyclohexen-1-yloxyl)ethyl]-5-(3,5-dichlorophenylthio)-4-isopropyl-1-methyl-1H-imidazole

1-bromo-4-(tert-butyl)cyclohex-1-ene

Refernces

• 1、 Dong, Guangbin,Liu, Peng,Qi, Xiaotian,Zhou, Bo. "Development and Mechanistic Studies of the Iridium-Catalyzed C?H Alkenylation of Enamides with Vinyl Acetates: A Versatile Approach for Ketone Functionalization". supporting information. p. 20926 - 20934. Retrieved 2021/08/18.
• 2、 Tanemura, Kiyoshi,Suzuki, Tsuneo. "Highly efficient acetalization of carbonyl compounds catalyzed by anilin-aldehyde resin salts". supporting information. p. 797 - 799. Retrieved 2015/06/22.