2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propanal

Base Information

• Chemical Name: 2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propanal
• CAS No.: 67467-96-3
• Molecular Formula: C15H22O
• Molecular Weight: 218.339
• Mol file: 67467-96-3.mol

Synonyms:

Chemical Property of 2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propanal

Chemical Property:

• Vapor Pressure: 0.00153mmHg at 25°C
• Boiling Point: 295.3°C at 760 mmHg
• Flash Point: 130.3°C
• PSA: 17.07000
• Density: 0.924g/cm³
• LogP: 3.75170
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)

Purity/Quality:

99% ^*data from raw suppliers

4-(1,1-Dimethylpropyl)-α-methyl-benzenepropanal ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 4-(1,1-Dimethylpropyl)-α-methyl-benzenepropanal is an intermediate in the synthesis of trans-Amorolfine (A634165). trans-Amorolfine is an analog / impurity of Amorolfine (A634170, HCl); a morpholine antifungal drug and topical solution for the treatment of toenail infections.

Technology Process of 2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propanal

There total 6 articles about 2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propanal 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: 77.0%

1-iodo-4-(tertpentyl)benzene (860556-27-0) + 3-hydroxy-2-methyl-1-propene (513-42-8) → 2-methyl-3-(4-(tert-pentyl)phenyl)propanal (67467-96-3)

Guidance literature:

With sodium hydrogencarbonate; palladium diacetate; In N,N-dimethyl-formamide; at 100 ℃; for 9h; Product distribution / selectivity;

Reference yield:

(E)-2-methyl-3-(4-(tert-pentyl)phenyl)acrylaldehyde → 2-methyl-3-(4-(tert-pentyl)phenyl)propanal (67467-96-3)

Guidance literature:

With calcium hydroxide; hydrogen; carbon palladium; In methanol; water;

Reference yield:

C17H24O2 → 2-methyl-3-(4-(tert-pentyl)phenyl)propanal (67467-96-3)

Guidance literature:

With potassium hydroxide; In methanol; water; at 20 ℃; for 1h; regioselective reaction;

DOI:10.3184/174751915X14408762827272

upstream raw materials:

α-methyl-allylidene diacetate

tery-amylbenzene

1-iodo-4-(tertpentyl)benzene

3-hydroxy-2-methyl-1-propene

Downstream raw materials:

1-[3-(p-tert-amyl-phenyl)-2-methyl-propyl]-piperidine

amorolfine hydrochloride

4-[3-[p-(1,1-dimethylpropyl)-phenyl]-2-methylpropyl]-2,6-dimethylmorpholine

Refernces

• 1、 Carella, Andrea,Ramos Ferronatto, Gabriel,Marotta, Emanuela,Mazzanti, Andrea,Righi, Paolo,Paolucci, Claudio. "Betti's base for crystallization-induced deracemization of substituted aldehydes: synthesis of enantiopure amorolfine and fenpropimorph". . p. 2968 - 2978. Retrieved 2017/04/10.
• 2、 -. "Process for producing 3-[4-(1,1-dimethyl-propyl)-phenyl]2-methyl-propionaldehyde and cis-4{3-[4-(1,1-dimethyl-propyl)-phenyl]2-methyl-propyl}-2,6-dimethyl-morpholine (amorolfine)". Page/Page column 6; 7. . Retrieved 2008/06/13.