(betaS)-4-Methyl-beta-(1-methylethyl)benzenepropanal

Base Information

Chemical Name:(betaS)-4-Methyl-beta-(1-methylethyl)benzenepropanal
CAS No.:309271-26-9
Molecular Formula:C₁₃H₁₈O
Molecular Weight:190.285
Hs Code.:
DSSTox Substance ID:DTXSID401246823
Nikkaji Number:J1.444.324J

Synonyms:DTXSID401246823;309271-26-9;(betaS)-4-Methyl-beta-(1-methylethyl)benzenepropanal

Suppliers and Price of (betaS)-4-Methyl-beta-(1-methylethyl)benzenepropanal

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of (betaS)-4-Methyl-beta-(1-methylethyl)benzenepropanal

Chemical Property:

XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:190.135765193
Heavy Atom Count:14
Complexity:166

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C(CC=O)C(C)C
Isomeric SMILES:CC1=CC=C(C=C1)[C@@H](CC=O)C(C)C

Technology Process of (betaS)-4-Methyl-beta-(1-methylethyl)benzenepropanal

There total 7 articles about (betaS)-4-Methyl-beta-(1-methylethyl)benzenepropanal 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:

: 384333-52-2
(E)-4-methyl-3-(4-methylphenyl)-2-penten-1-ol

: (R)-4-methyl-3-(4-methylphenyl)pentanal

: 309271-26-9
(S)-4-methyl-3-(4-methylphenyl)pentanal

Guidance literature:: With (R)-C₂₄H₂₂O₂PN; bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; In toluene; at 105 ℃; for 30h; Title compound not separated from byproducts;
DOI:10.1016/j.tetlet.2006.05.108

Reference yield:

: 384333-52-2
(E)-4-methyl-3-(4-methylphenyl)-2-penten-1-ol

: 309271-26-9
(S)-4-methyl-3-(4-methylphenyl)pentanal

Guidance literature:: With (1,5-cyclooctadiene)(2-(1-adamantyl)2PCH₂-4-tert-butyl-2-oxazoline)iridium(I) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate; hydrogen; In tetrahydrofuran; at 23 ℃; for 22h; optical yield given as %ee; Inert atmosphere;
DOI:10.1002/anie.200901863

Reference yield:

: 309271-08-7
(Z)-4-methyl-3-(4-methylphenyl)-2-penten-1-ol

: (R)-4-methyl-3-(4-methylphenyl)pentanal

: 309271-26-9
(S)-4-methyl-3-(4-methylphenyl)pentanal

Guidance literature:: With bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; (+)-Fe(Me₅Cp)[2-(Ph₂PCH₂)-3,4-Me₂-phosphaCp]; In tetrahydrofuran; at 100 ℃; for 48h; Title compound not separated from byproducts.;
DOI:10.1021/ja002471r