3-[(4-Chloro-3-methylphenoxy)methyl]-4-methoxybenzaldehyde

Base Information

• Chemical Name: 3-[(4-Chloro-3-methylphenoxy)methyl]-4-methoxybenzaldehyde
• CAS No.: 834913-94-9
• Molecular Formula: C₁₆H₁₅ClO₃
• Molecular Weight: 290.746
• DSSTox Substance ID: DTXSID201191509
• Mol file: 834913-94-9.mol

Synonyms:3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxybenzaldehyde;834913-94-9;3-((4-Chloro-3-methylphenoxy)methyl)-4-methoxybenzaldehyde;3-(((4-chloro-3-methylphenyl)oxy)methyl)-4-(methyloxy)benzaldehyde;3-(4-Chloro-3-methyl-phenoxymethyl)-4-methoxy-benzaldehyde;DTXSID201191509;BBL036423;MFCD01114943;STK298874;AKOS000304173;VS-13479;CS-0240326;EN300-227849;AK-968/37166307;Z424816126

Chemical Property of 3-[(4-Chloro-3-methylphenoxy)methyl]-4-methoxybenzaldehyde

Chemical Property:

• Boiling Point: 439.6±45.0 °C(Predicted)
• Density: 1?+-.0.06 g/cm3(Predicted)
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 290.0709720
• Heavy Atom Count: 20
• Complexity: 310

Purity/Quality:

97% ^*data from raw suppliers

3-((4-Chloro-3-methylphenoxy)methyl)-4-methoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

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

Technology Process of 3-[(4-Chloro-3-methylphenoxy)methyl]-4-methoxybenzaldehyde

There total 2 articles about 3-[(4-Chloro-3-methylphenoxy)methyl]-4-methoxybenzaldehyde 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%

4-Chloro-3-methylphenol (59-50-7) + 3-(chloromethyl)-4-methoxybenzaldehyde (52577-09-0) → C16H15ClO3 (834913-94-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; acetonitrile; Reflux;

DOI:10.1007/s11172-015-0875-9

Reference yield:

4-methoxy-benzaldehyde (123-11-5) → C16H15ClO3 (834913-94-9)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride / water / 3 h / 70 - 80 °C

2: potassium carbonate / acetonitrile; N,N-dimethyl-formamide / Reflux

With hydrogenchloride; potassium carbonate; In water; N,N-dimethyl-formamide; acetonitrile;

DOI:10.1007/s11172-015-0875-9

Reference yield:

C16H15ClO3 (834913-94-9) → (2R)‐4‐acetyl‐10‐{2‐[(E)‐2‐({3‐[(4‐chloro‐3‐methylphenoxy)methyl]‐4-methoxyphenyl}methylidene)hydrazin‐1‐yl]‐1,3‐thiazol‐4‐yl}‐5,11,13‐trihydroxy‐2,12‐dimethyl‐8-oxatricyclo[7.4.0.02,7]trideca‐1(9),4,6,10,12‐pentaen‐3‐one

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol; water

2: methanol

In methanol; ethanol; water;

DOI:10.3390/molecules24203711

upstream raw materials:

4-Chloro-3-methylphenol

3-(chloromethyl)-4-methoxybenzaldehyde

4-methoxy-benzaldehyde

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