3-Cyclohexene-1-carboxaldehyde, 1,3-dimethyl-

Base Information

• Chemical Name: 3-Cyclohexene-1-carboxaldehyde, 1,3-dimethyl-
• CAS No.: 142457-17-8
• Molecular Formula: C9H14O
• Molecular Weight: 138.21
• DSSTox Substance ID: DTXSID00454145
• Nikkaji Number: J883.924G
• Mol file: 142457-17-8.mol

Synonyms:3-Cyclohexene-1-carboxaldehyde, 1,3-dimethyl-;142457-17-8;SCHEMBL14570384;DTXSID00454145;1,3-Dimethyl-3-cyclohexene-1-carbaldehyde

Chemical Property of 3-Cyclohexene-1-carboxaldehyde, 1,3-dimethyl-

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 138.104465066
• Heavy Atom Count: 10
• Complexity: 170

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCCC(C1)(C)C=O

Technology Process of 3-Cyclohexene-1-carboxaldehyde, 1,3-dimethyl-

There total 2 articles about 3-Cyclohexene-1-carboxaldehyde, 1,3-dimethyl- 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:

2-methylpropenal (78-85-3,25120-30-3) + isoprene (78-79-5,9003-31-0) → 1,4-dimethyl-cyclohex-3-enecarbaldehyde (933-44-8) + 1,3-dimethyl-cyclohex-3-enecarbaldehyde (142457-17-8)

Guidance literature:

With [Ru(N,N'-ethylenebis(salicylideneaminate)(NO)(H₂O)](SbF₆); In nitromethane-d3; at 25 ℃; for 3h; Product distribution; Mechanism; other dienophiles and dienes; catalytic effect of a ruthenium-based Lewis-acid catalyst for the Diels-Alder reaction;

DOI:10.1021/ja00042a015

Reference yield:

2-methylpropenal (78-85-3,25120-30-3) + isoprene (78-79-5,9003-31-0) → (R)-1,4-dimethylcyclohex-3-ene-1-carbaldehyde + 1,3-dimethyl-cyclohex-3-enecarbaldehyde (142457-17-8) + (S)-1,4-dimethylcyclohex-3-ene-1-carboxaldehyde

Guidance literature:

With allyltributylstanane; 1-hexyl-3-methylimidazolium hexafluorophosphate; (S)-BINOL indium; at 20 ℃; for 20h; Title compound not separated from byproducts;

DOI:10.1021/ol062481i

upstream raw materials:

2-methylpropenal

isoprene