3-(4-Methoxyphenyl)-2-methylpropanal

Base Information

• Chemical Name: 3-(4-Methoxyphenyl)-2-methylpropanal
• CAS No.: 5462-06-6
• Molecular Formula: C11H14 O2
• Molecular Weight: 178.231
• Hs Code.: 2912499000
• European Community (EC) Number: 226-749-5
• NSC Number: 22280
• UNII: L7QWJ4USPC
• DSSTox Substance ID: DTXSID6044567
• Nikkaji Number: J58.401K
• Wikidata: Q27282816
• Mol file: 5462-06-6.mol

Synonyms:3-(4-methoxyphenyl)-2-methylpropanal;5462-06-6;Canthoxal;2-METHYL-3-(PARA-METHOXY PHENYL)-PROPANAL;3-(4-METHOXYPHENYL)-2-METHYLPROPIONALDEHYDE;2-Methyl-3-(p-methoxyphenyl)propanal;2-Anisylpropional;2-(p-Anisyl)propanal;2-Methyl-3-(4-methoxyphenyl)propionaldehyde;L7QWJ4USPC;p-Methoxyhydratropaldehyde;Benzenepropanal, 4-methoxy-.alpha.-methyl-;EINECS 226-749-5;4-Methoxy-alpha-methylbenzenepropanal;NSC 22280;NSC-22280;2-methyl-3-(4-methoxyphenyl)-propanal;BRN 2443561;p-Methoxy-alpha-methylhydrocinnamaldehyde;Benzenepropanal, 4-methoxy-alpha-methyl-;3-(p-Methoxyphenyl)-2-methylpropionaldehyde;Hydrocinnamaldehyde, p-methoxy-alpha-methyl-;2-Methyl-3-(p-Methoxyphenyl)-propanaldehyde;NSC22280;UNII-L7QWJ4USPC;SCHEMBL113550;DTXSID6044567;AMY11257;MFCD00187533;2-methyl-3-(4-methoxyphenyl)propanal;AKOS006273895;2-methyl-3-(para-methoxyphenyl)propanal;2-Methyl-3-(para-methoxyphenyl)-propanal;AS-38140;LS-30979;p-Methoxy-.alpha.-methylhydrocinnamaldehyde;FT-0635740;3-(4-Methoxy-phenyl)-2-methyl-propionaldehyde;4-08-00-00516 (Beilstein Handbook Reference);A913745;2-METHYL-3-(P-METHOXYPHENYL)PROPIONALDEHYDE;HYDROCINNAMALDEHYDE, P-METHOXY-.ALPHA.-METHYL-;Q27282816

Chemical Property of 3-(4-Methoxyphenyl)-2-methylpropanal

Chemical Property:

• Vapor Pressure: 0.0102mmHg at 25°C
• Refractive Index: 1.5103 (estimate)
• Boiling Point: 263.5°Cat760mmHg
• Flash Point: 106.4°C
• PSA: 26.30000
• Density: 1.007g/cm³
• LogP: 2.07270
• Water Solubility.: 1.086g/L at 24℃
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 148

Purity/Quality:

99.9% ^*data from raw suppliers

3-(4-Methoxyphenyl)-2-methylpropanal 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1=CC=C(C=C1)OC)C=O

Technology Process of 3-(4-Methoxyphenyl)-2-methylpropanal

There total 30 articles about 3-(4-Methoxyphenyl)-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: 80.0%

1-bromo-4-methoxy-benzene (104-92-7) + 3-hydroxy-2-methyl-1-propene (513-42-8) → 3-(p-methoxyphenyl)-2-methylpropionaldehyde (5462-06-6)

Guidance literature:

With sodium carbonate; tri tert-butylphosphoniumtetrafluoroborate; palladium diacetate; In 1-methyl-pyrrolidin-2-one; water; at 130 ℃; for 24h;

DOI:10.1016/j.tet.2007.11.019

Reference yield: 80.0%

para-iodoanisole (696-62-8) + 3-hydroxy-2-methyl-1-propene (513-42-8) → 3-(p-methoxyphenyl)-2-methylpropionaldehyde (5462-06-6)

Guidance literature:

With tetrabutyl-ammonium chloride; sodium hydrogencarbonate; palladium diacetate; In water; at 80 ℃; for 23h;

DOI:10.1081/SCC-100107017

Reference yield: 63.8%

Estragole (140-67-0) + carbon monoxide (201230-82-2) → 4-n-propylanisole (104-45-0) + 3-(p-methoxyphenyl)-2-methylpropionaldehyde (5462-06-6) + 4-(4-methoxyphenyl)butyraldehyde (56047-51-9) + E-1-(4'-methoxyphenyl)prop-1-ene (4180-23-8,25086-72-0,63589-56-0)

Guidance literature:

With hydrogen; N-dodecyl-N-(2-hydroxyethyl)-N,N-dimethylammonium bromide; {Rh(cod)[μ-S(CH2)3Si(OMe)3]}2; triphenylphosphine; In water; butan-1-ol; at 80 ℃; for 6h; under 10350.8 Torr; Further byproducts given; microemulsion/sol-gel;

DOI:10.1002/ejoc.200500244

upstream raw materials:

(+/-)-2-methyl-3-(p-methoxyphenyl)propanol

1-acetoxy-2-methyl-3-(4-methoxyphenyl)propene

para-iodoanisole

3-hydroxy-2-methyl-1-propene

Downstream raw materials:

(S)-(-)-3-(4-methoxyphenyl)-2-methylpropan-1-ol

(1S,3R,R)-3-(1-(4-methoxyphenyl)propan-2-yl)-1-phenyl-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazine

3-(4-methoxyphenyl)-2-methylpropionic acid

5-(4-(4-methoxyphenyl)-3-methylbut-1-enyl)benzo[d][1,3]dioxole

Refernces

• 1、 Baricelli, Pablo J.,Borusiak, Margarita,Crespo, Isis,Melean, Luis G.,Pereira, Juan C.,Rodríguez, Mariandry,Rosales, Merlín. "Hydroformylation of natural olefins with the [Rh(COD)(μ-OMe)]2/TPPTS complex in BMI-BF4/toluene biphasic medium: Observations on the interfacial role of CTAB in reactive systems". . . Retrieved 2020/10/02.
• 2、 Wu, Fu-Peng,Li, Da,Peng, Jin-Bao,Wu, Xiao-Feng. "Carbonylative Transformation of Allylarenes with CO Surrogates: Tunable Synthesis of 4-Arylbutanoic Acids, 2-Arylbutanoic Acids, and 4-Arylbutanals". supporting information. p. 5699 - 5703. Retrieved 2019/08/01.