2-Methyl 4-benzyloxybenzaldehyde

Base Information

• Chemical Name: 2-Methyl 4-benzyloxybenzaldehyde
• CAS No.: 101093-56-5
• Molecular Formula: C15H14O2
• Molecular Weight: 226.275
• Hs Code.: 2912499000
• European Community (EC) Number: 672-319-9
• DSSTox Substance ID: DTXSID80374913
• Nikkaji Number: J3.422.021B
• Wikidata: Q72488132
• Mol file: 101093-56-5.mol

Synonyms:101093-56-5;4-(benzyloxy)-2-methylbenzaldehyde;2-Methyl 4-benzyloxybenzaldehyde;2-methyl-4-benzyloxybenzaldehyde;4-benzyloxy-2-methyl-benzaldehyde;4-benzyloxy-2-methylbenzaldehyde;2-methyl-4-phenylmethoxybenzaldehyde;2-Methyl4-benzyloxybenzaldehyde;4-Benzyloxy-o-tolualdehyde;SCHEMBL498282;DTXSID80374913;OGVPJBJWJCZBTH-UHFFFAOYSA-N;BEA09356;MFCD01317809;AKOS015890311;AC-6496;AM83237;DS-5265;Benzaldehyde, 2-methyl-4-(phenylmethoxy)-;2-methyl 4-benzyloxybenzaldehyde, AldrichCPR;B5136;CS-0153201;FT-0642448

Chemical Property of 2-Methyl 4-benzyloxybenzaldehyde

Chemical Property:

• Vapor Pressure: 3.93E-06mmHg at 25°C
• Melting Point: 58.0 to 62.0 °C
• Refractive Index: 1.598
• Boiling Point: 385 °C at 760 mmHg
• Flash Point: 176.5 °C
• PSA: 26.30000
• Density: 1.119 g/cm³
• LogP: 3.38650
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 226.099379685
• Heavy Atom Count: 17
• Complexity: 233

Purity/Quality:

97% ^*data from raw suppliers

4-(Benzyloxy)-2-methylbenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C=O

Technology Process of 2-Methyl 4-benzyloxybenzaldehyde

There total 9 articles about 2-Methyl 4-benzyloxybenzaldehyde 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%

4-hydroxy-2-methyl-benzaldehyde (41438-18-0) + benzyl bromide (100-39-0) → 4-benzyloxy-2-methyl-benzaldehyde (101093-56-5)

Guidance literature:

With caesium carbonate; In acetone; at 20 ℃; Inert atmosphere;

DOI:10.1021/acs.jmedchem.9b01199

Reference yield:

4-benzyloxy-2-methylbenzoic acid (17819-91-9) → 4-benzyloxy-2-methyl-benzaldehyde (101093-56-5)

Guidance literature:

Multi-step reaction with 3 steps

1: thionyl chloride / methanol

2: tetrahydrofuran

3: manganese dioxide / methanol; chloroform

With thionyl chloride; manganese dioxide; In tetrahydrofuran; methanol; chloroform;

Reference yield:

4-(benzyloxy)-1-bromo-2-methylbenzene (17671-75-9) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4-benzyloxy-2-methyl-benzaldehyde (101093-56-5)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 0 ℃; for 0.666667h;

upstream raw materials:

4-hydroxy-2-methyl-benzaldehyde

benzyl chloride

4-methoxysalicylaldehyde

4-(benzyloxy)-1-bromo-2-methylbenzene

Downstream raw materials:

nicotinic acid-(4-benzyloxy-2-methyl-benzylidenehydrazide)

isonicotinic acid-(4-benzyloxy-2-methyl-benzylidenehydrazide)

4-(benzyloxy)-5-bromo-2-methylbenzaldehyde

3-(4-benzyloxy-2-methyl-benzylamino)-benzoic acid ethyl ester