3-(2-Methylphenyl)propanal

Base Information

• Chemical Name: 3-(2-Methylphenyl)propanal
• CAS No.: 19564-40-0
• Molecular Formula: C10H12 O
• Molecular Weight: 148.205
• Hs Code.: 2912299000
• DSSTox Substance ID: DTXSID10569870
• Nikkaji Number: J2.730.878C
• Wikidata: Q82457117
• Mol file: 19564-40-0.mol

Synonyms:19564-40-0;3-(2-METHYLPHENYL)PROPANAL;Benzenepropanal,2-methyl-;BENZENEPROPANAL, 2-METHYL-;3-(2-METHYLPHENYL)PROPIONALDEHYDE;3-O-TOLYL-PROPIONALDEHYDE;MFCD07772906;3-(o-Tolyl)propanal;2-methyl-hydrocinnamaldehyde;SCHEMBL67347;DTXSID10569870;AKOS011898121;AB42260;EN300-1865502

Chemical Property of 3-(2-Methylphenyl)propanal

Chemical Property:

• Vapor Pressure: 0.077mmHg at 25°C
• Refractive Index: 1.508
• Boiling Point: 227.5°Cat760mmHg
• Flash Point: 101.6°C
• PSA: 17.07000
• Density: 0.972g/cm³
• LogP: 2.12650
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 148.088815002
• Heavy Atom Count: 11
• Complexity: 120

Purity/Quality:

99% ^*data from raw suppliers

3-(2-Methylphenyl)propionaldehyde 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1CCC=O

Technology Process of 3-(2-Methylphenyl)propanal

There total 15 articles about 3-(2-Methylphenyl)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: 91.0%

carbon monoxide (201230-82-2) + 1-methyl-2-vinyl-benzene (611-15-4) → 3-(2-methylphenyl)propanal (19564-40-0) + 2-(2-methylphenyl)propanal (103108-03-8)

Guidance literature:

With chloro(1,5-cyclooctadiene)rhodium(I) dimer; hydrogen; sodium 4-dodecylbenzenesulfonate; Sodium; 2-[bis-(2-diphenylphosphanyl-ethyl)-carbamoyl]-benzenesulfonate; In water; toluene; at 60 ℃; under 30003 Torr;

DOI:10.1016/j.cclet.2021.07.068

Reference yield: 71.5%

ortho-methylphenyl iodide (615-37-2) + allyl alcohol (107-18-6) → 3-(2-methylphenyl)propanal (19564-40-0)

Guidance literature:

With tetrabutyl-ammonium chloride; palladium diacetate; sodium hydrogencarbonate; at 80 ℃; for 30h;

DOI:10.1002/jhet.5570410613

Reference yield: 70.0%

3-(2-methylphenyl)-1-propanol (14902-36-4) → 3-(2-methylphenyl)propanal (19564-40-0)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 0 ℃; for 4h;

DOI:10.1021/ol301874x

upstream raw materials:

carbon monoxide

1-methyl-2-vinyl-benzene

orthoformic acid triethyl ester

ortho-methylphenyl iodide

Downstream raw materials:

Γ-(o-Tolyl)propylidenaminoguanidin

2-amino-5-(2'-methylbenzyl)thiophene-3-carboxylic acid ethyl ester

3⁽⁵⁾-(4-fluorophenyl)-5⁽³⁾-(1-hydroxy-3-(2-tolyl)propyl)-4-(4-pyridyl)-pyrazole

C₁₈H₂₁F₄N₃

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