Butylphenyl methylpropional, (-)-

Base Information

• Chemical Name: Butylphenyl methylpropional, (-)-
• CAS No.: 75166-31-3
• Molecular Formula: C₁₄H₂₀O
• Molecular Weight: 204.312
• UNII: 14X71K3AMT
• DSSTox Substance ID: DTXSID30226155
• Nikkaji Number: J1.653.370J
• Wikidata: Q27251655
• Mol file: 75166-31-3.mol

Synonyms:Butylphenyl methylpropional, (-)-;UNII-14X71K3AMT;14X71K3AMT;75166-31-3;(R)-butylphenyl methylpropional;SCHEMBL13453994;DTXSID30226155;BUTYLPHENYL METHYLPROPIONAL, (R)-;(R)-alpha-Methyl-4-tert-butylbenzenepropanal;(-)-2-METHYL-3-(4-TERT-BUTYLPHENYL)PROPANAL;(R)-2-METHYL-3-(4-TERT-BUTYLPHENYL)PROPANAL;Q27251655;BENZENEPROPANAL, 4-(1,1-DIMETHYLETHYL)-.ALPHA.-METHYL-, (R)-;BENZENEPROPANAL, 4-(1,1-DIMETHYLETHYL)-.ALPHA.-METHYL-, (.ALPHA.R)-

Chemical Property of Butylphenyl methylpropional, (-)-

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 204.151415257
• Heavy Atom Count: 15
• Complexity: 194

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Butylphenyl methylpropional, (-)-

There total 21 articles about Butylphenyl methylpropional, (-)- 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:

(E)-3-(4-(tert-butyl)phenyl)-2-methylprop-2-en-1-ol (117721-78-5) → p-tert-butyl-α-methylhydrocinnamic aldehyde (80-54-6,75166-25-5,75166-31-3,75166-30-2)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / cationic iridium complex of 1,5-cyclooctadiene with chi; ral substituted phosphanodihydroxazole (PF₆^(1-) as a counter ion) / CH₂Cl₂ / 2 h / 23 °C / 37503 Torr

2: PCC / CH₂Cl₂ / 23 °C

With hydrogen; pyridinium chlorochromate; cationic iridium complex of 1,5-cyclooctadiene with chi; In dichloromethane;

DOI:10.1002/(SICI)1521-3773(19981102)37:20<2897::AID-ANIE2897>3.0.CO;2-8

Reference yield:

(S)-3-(4-(tert-butyl)phenyl)-2-methylpropan-1-ol (79253-37-5) → p-tert-butyl-α-methylhydrocinnamic aldehyde (80-54-6,75166-25-5,75166-31-3,75166-30-2) + (R)-(-)-3-(4-tert-Butylphenyl)-2-methylpropanal (75166-31-3)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 23 ℃; Yield given; Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1002/(SICI)1521-3773(19981102)37:20<2897::AID-ANIE2897>3.0.CO;2-8

Reference yield:

(S)-3-(4-(tert-butyl)phenyl)-2-methylpropan-1-ol (79253-37-5) → p-tert-butyl-α-methylhydrocinnamic aldehyde (80-54-6,75166-25-5,75166-31-3,75166-30-2) + (R)-(-)-3-(4-tert-Butylphenyl)-2-methylpropanal (75166-31-3)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 23 ℃; Yield given; Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1002/(SICI)1521-3773(19981102)37:20<2897::AID-ANIE2897>3.0.CO;2-8

upstream raw materials:

(2R,2'S)-1-<3-(4-tert-Butylphenyl)-2-methylpropylideneamino>-2-(methoxymethyl)pyrrolidine

(S)-3-(4-(tert-butyl)phenyl)-2-methylpropan-1-ol

(E)-3-(4-(tert-butyl)phenyl)-2-methylprop-2-en-1-ol

3-(4-tert-butylphenyl)propionaldehyde