3-Cyclohexene-1-butanal, 4-methyl-2-oxo-, (R)-

Base Information

Chemical Name:3-Cyclohexene-1-butanal, 4-methyl-2-oxo-, (R)-
CAS No.:176980-42-0
Molecular Formula:C₁₁H₁₆O₂
Molecular Weight:180.247
Hs Code.:
DSSTox Substance ID:DTXSID801249524

Synonyms:DTXSID801249524;3-Cyclohexene-1-butanal, 4-methyl-2-oxo-, (R)-;176980-42-0

Suppliers and Price of 3-Cyclohexene-1-butanal, 4-methyl-2-oxo-, (R)-

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3-Cyclohexene-1-butanal, 4-methyl-2-oxo-, (R)-

Chemical Property:

XLogP3:1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:180.115029749
Heavy Atom Count:13
Complexity:228

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC(=O)C(CC1)CCCC=O
Isomeric SMILES:CC1=CC(=O)[C@@H](CC1)CCCC=O

Technology Process of 3-Cyclohexene-1-butanal, 4-methyl-2-oxo-, (R)-

There total 3 articles about 3-Cyclohexene-1-butanal, 4-methyl-2-oxo-, (R)- 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: 98.0%

: 176980-51-1
(R)-(-)-4-(4'-methyl-2'-oxocyclohex-3'-en-1'-yl)butyraldehyde dimethyl acetal

: 176980-42-0
(R)-(-)-4-(4'-methyl-2'-oxocyclohex-3'-en-1'-yl)butyraldehyde

Guidance literature:: With trifluoroacetic acid; In dichloromethane; water; Ambient temperature; 2-4 h;
DOI:10.1021/jo9600417

Reference yield:

: ((S)-2-Methoxymethyl-pyrrolidin-1-yl)-[3-methyl-cyclohex-2-en-(Z)-ylidene]-amine

: 176980-42-0
(R)-(-)-4-(4'-methyl-2'-oxocyclohex-3'-en-1'-yl)butyraldehyde

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) diisopropylamine, lithium chloride, n-butyllithium / 1.) THF, -95 deg C, 4 h, 2.) THF, 30 min

2: 86 percent / ozone / CH₂Cl₂ / -78 °C

3: 98 percent / trifluoroacetic acid / H₂O; CH₂Cl₂ / Ambient temperature; 2-4 h

With n-butyllithium; ozone; diisopropylamine; trifluoroacetic acid; lithium chloride; In dichloromethane; water;
DOI:10.1021/jo9600417

Reference yield:

: [(R)-6-(4,4-Dimethoxy-butyl)-3-methyl-cyclohex-2-en-(Z)-ylidene]-((S)-2-methoxymethyl-pyrrolidin-1-yl)-amine

: 176980-42-0
(R)-(-)-4-(4'-methyl-2'-oxocyclohex-3'-en-1'-yl)butyraldehyde

Guidance literature:: Multi-step reaction with 2 steps

1: 86 percent / ozone / CH₂Cl₂ / -78 °C

2: 98 percent / trifluoroacetic acid / H₂O; CH₂Cl₂ / Ambient temperature; 2-4 h

With ozone; trifluoroacetic acid; In dichloromethane; water;
DOI:10.1021/jo9600417