3-(3-tert-Butylphenyl)-2-methylpropanal

Base Information

• Chemical Name: 3-(3-tert-Butylphenyl)-2-methylpropanal
• CAS No.: 62518-65-4
• Deprecated CAS: 1607008-75-2
• Molecular Formula: C14H20O
• Molecular Weight: 204.312
• European Community (EC) Number: 263-580-6
• UNII: UGB2D7505H
• DSSTox Substance ID: DTXSID8052304
• Nikkaji Number: J307.062J
• Wikidata: Q27291068

Synonyms:3-(3-tert-Butylphenyl)-2-methylpropanal;62518-65-4;3-(m-tert-Butylphenyl)-2-methylpropionaldehyde;UNII-UGB2D7505H;Benzenepropanal, 3-(1,1-dimethylethyl)-.alpha.-methyl-;UGB2D7505H;EINECS 263-580-6;Benzenepropanal, 3-(1,1-dimethylethyl)-alpha-methyl-;EC 263-580-6;SCHEMBL779665;DTXSID8052304;3-tert-Butyl-alpha-methylbenzenepropanal;3-(3-tert-Butylphenyl)-2-methylpropanal #;3-(3-tert-butylphenyl)-2-methylpropan-1-al;W-111212;Q27291068;Benzenepropanl, 3-[1,1-dimethylethyl]-.alpha.-methyl-;3 - (m - tert - butylphenyl) - 2 - methylpropionaldehyde;3-(1,1-DIMETHYLETHYL)-.ALPHA.-METHYLBENZENEPROPANAL

Chemical Property of 3-(3-tert-Butylphenyl)-2-methylpropanal

Chemical Property:

• Vapor Pressure: 0.00695mmHg at 25°C
• Boiling Point: 270.2°Cat760mmHg
• Flash Point: 114.3°C
• PSA: 17.07000
• Density: 0.93g/cm³
• LogP: 3.36160
• 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: 202

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aldehydes
• Canonical SMILES: CC(CC1=CC(=CC=C1)C(C)(C)C)C=O

Technology Process of 3-(3-tert-Butylphenyl)-2-methylpropanal

There total 1 articles about 3-(3-tert-Butylphenyl)-2-methylpropanal 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) + tert-butylbenzene (253185-03-4,253185-04-5) → 3-(1,1-dimethylethyl)-α-methyl-benzenepropanal (62518-65-4) + lilial (80-54-6)

Guidance literature:

2-methylpropenal; tert-butylbenzene; With oxygen; sodium acetate; acetylacetone; palladium diacetate; In propionic acid; at 90 ℃; for 1.5h; under 760.051 Torr;

With hydrogen; palladium on activated charcoal; under 760.051 Torr; Further stages. Title compound not separated from byproducts.;

DOI:10.1021/jo050534o

Reference yield: 64.0%

3-(1,1-dimethylethyl)-α-methyl-benzenepropanal (62518-65-4) → 3-(3-tert-butylphenyl)-2-methylpropan-1-ol (212787-40-1)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 8 - 30 ℃; for 1.16667h;

Reference yield:

3-(1,1-dimethylethyl)-α-methyl-benzenepropanal (62518-65-4) + 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (4815-28-5) → C23H28N2OS

Guidance literature:

With hydrogenchloride; In water; butan-1-ol; at 80 ℃;

DOI:10.2174/1573406413666170623084525

upstream raw materials:

2-methylpropenal

tert-butylbenzene

Downstream raw materials:

3-(3-tert-butylphenyl)-2-methylpropan-1-ol

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