2-Methyl-3-phenylpropanal

Base Information

• Chemical Name: 2-Methyl-3-phenylpropanal
• CAS No.: 5445-77-2
• Molecular Formula: C10H12 O
• Molecular Weight: 148.205
• Hs Code.: 2912299000
• European Community (EC) Number: 226-654-9
• NSC Number: 22266
• UNII: TA7UWG59F9
• DSSTox Substance ID: DTXSID301020884
• Nikkaji Number: J210.487C
• Mol file: 5445-77-2.mol

Synonyms:2-Methyl-3-phenylpropanal;5445-77-2;2-Methyl-3-phenylpropionaldehyde;Benzenepropanal, .alpha.-methyl-;TA7UWG59F9;2-methyl-3-phenylpropanaldehyde;EINECS 226-654-9;NSC-22266;NSC22266;alpha-Methylbenzenepropanal;UNII-TA7UWG59F9;2-Methyl-3-phenyl-propanal;SCHEMBL97559;2-Methyl-3-phenylpropanal #;Benzenepropanal, alpha-methyl-;Propanal, 2-methyl-3-phenyl-;3-phenyl-2-methylpropionaldehyde;2-methyl-3-phenyl-propionaldehyde;DTXSID301020884;AMY11256;MFCD00072223;NSC 22266;AKOS006275153;AS-47777;FT-0652190;EN300-132030;F16111;A830193;Z1198150055

Chemical Property of 2-Methyl-3-phenylpropanal

Chemical Property:

• Vapor Pressure: 0.149mmHg at 25°C
• Refractive Index: 1.5119
• Boiling Point: 215.3°Cat760mmHg
• Flash Point: 90.5°C
• PSA: 17.07000
• Density: 0.968g/cm³
• LogP: 2.06410
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Sparingly)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 148.088815002
• Heavy Atom Count: 11
• Complexity: 114

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Methyl-3-phenylpropionaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Methyl-3-phenylpropanal

There total 152 articles about 2-Methyl-3-phenylpropanal 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: 100.0%

(E)-3-phenyl-2-methyl-2-propenol (1504-55-8,39924-63-5,55131-20-9) → 2-benzylpropionaldehyde (5445-77-2)

Guidance literature:

With (1,5-cyclooctadiene)(pyridine)(tricyclohexylphosphine)iridium(I) tetrakis[3,5-bis(trifluoromethyl)phenyl]borate; hydrogen; In tetrahydrofuran; at 23 ℃; for 1h;

DOI:10.1016/j.tetlet.2009.04.130

Reference yield: 98.0%

2-methyl-3-phenylprop-2-en-1-ol (1504-55-8) → 2-benzylpropionaldehyde (5445-77-2)

Guidance literature:

With [Os(η(5)-C5,κ-N-Cp(N))(CH3CN)2]PF6; In tetrahydrofuran-d8; at 60 ℃; for 13h; Inert atmosphere;

DOI:10.1021/om100126t

Reference yield: 95.0%

α-methyl-trans-cinnamaldehyde (15174-47-7) → 2-benzylpropionaldehyde (5445-77-2)

Guidance literature:

With La(pta)3; hydrogen; palladium on activated charcoal; In benzene; under 750.06 Torr; Ambient temperature;

DOI:10.1016/S0040-4020(01)81344-2

upstream raw materials:

2-methyl-3-phenylpropanoic acid

4,4,6-trimethyl-2-vinyl-5,6-dihydro-4H-[1,3]oxazine

methyl iodide

2-Methyl-3-phenyl-propionaldehyd-enolacetat

Downstream raw materials:

butyl-α-methyl hydrocinnamic alcohol

anti-ethyl 3-hydroxy-4-methyl-5-phenyldithiopentanoate

syn-ethyl 3-hydroxy-4-methyl-5-phenyldithiopentanoate

(2S,3R)-2-Methyl-1-phenyl-heptan-3-ol

Refernces

• 1、 Chen, Gong-Jun,Dong, Yu-Bin,Ma, Hui-Chao,Sun, Ya-Nan. "A BINOL-phosphoric acid and metalloporphyrin derived chiral covalent organic framework for enantioselective α-benzylation of aldehydes". . p. 1906 - 1911. Retrieved 2022/02/25.
• 2、 Nett, Nathalie,Duewel, Sabine,Schmermund, Luca,Benary, Gerrit E.,Ranaghan, Kara,Mulholland, Adrian,Opperman, Diederik J.,Hoebenreich, Sabrina. "A robust and stereocomplementary panel of ene-reductase variants for gram-scale asymmetric hydrogenation". . . Retrieved 2021/01/25.