2-Methylcyclohexane-1-carbaldehyde

Base Information

• Chemical Name: 2-Methylcyclohexane-1-carbaldehyde
• CAS No.: 13076-15-8
• Molecular Formula: C8H14O
• Molecular Weight: 126.199
• European Community (EC) Number: 823-811-9
• Mol file: 13076-15-8.mol

Synonyms:2-methylcyclohexane-1-carbaldehyde;13076-15-8;2-methylcyclohexane-1-carbaldehyde, Mixture of diastereomers;2-methylcyclohexanal;SCHEMBL1458596;AKOS015258179;CS-0232245;EN300-126656;Z1268606365

Chemical Property of 2-Methylcyclohexane-1-carbaldehyde

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 126.104465066
• Heavy Atom Count: 9
• Complexity: 98.7

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCCC1C=O

Technology Process of 2-Methylcyclohexane-1-carbaldehyde

There total 28 articles about 2-Methylcyclohexane-1-carbaldehyde 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: 77.0%

2-Mehtylcyclohexan-1-oxiran-2-ylmethyltrimethylsilane (86553-99-3) → 2-methylcyclohexyl carboxaldehyde (13076-15-8)

Guidance literature:

With formic acid; at 20 ℃; for 0.5h;

DOI:10.1016/S0040-4020(01)88585-9

Reference yield: 72.0%

1-methylcyclohex-1-ene (591-49-1) + carbon monoxide (201230-82-2) → trans-2-methylcyclohexanecarbaldehyde (13076-15-8,13377-49-6,50778-40-0,97276-80-7)

Guidance literature:

With dicarbonylacetylacetonato rhodium (I); C₃₇H₅₀NO₄P; hydrogen; In toluene; at 100 ℃; for 12h; under 15001.5 Torr; regioselective reaction; Autoclave;

DOI:10.1021/acs.orglett.9b01639

Reference yield: 68.0%

(2-Methylcyclohexyl)methanol (2105-40-0) → 2-methylcyclohexyl carboxaldehyde (13076-15-8)

Guidance literature:

DOI:10.1021/jo001751m

upstream raw materials:

ethyl 4-methyl-1-oxaspiro[2.5]octane-2-carboxylate

6-methyl-3-cyclohexene-1-carbaldehyde

formic acid

trans-Cyclooctene oxide

Downstream raw materials:

4-(2-methylcyclohexyl)-(E)-3-buten-2-one

(+/-)-(trans-2-Methyl-cyclohexyl)-methanol

C-(2-methyl-cyclohexyl)-methylamine

(2-Methylcyclohexyl)methanol

Refernces

• 1、 Shin, Taeil,Kim, Hyungsoo,Kim, Sungmin,Lee, Ansoo,Seo, Min-Seob,Choi, Jonghoon,Kim, Hyungjun,Kim, Hyunwoo. "Ligand-Controlled Direct Hydroformylation of Trisubstituted Olefins". . p. 5789 - 5792. Retrieved 2019/06/24.
• 2、 Glossop, Paul,Jones, David W.. "Absence of the alleged retardation of the Diels-Alder reaction for dienes bearing a neighbouring hydroxy substituent". . p. 501 - 505. Retrieved 2007/10/03.