4-[(4-Chlorobenzyl)oxy]-3-ethoxybenzaldehyde

Base Information

• Chemical Name: 4-[(4-Chlorobenzyl)oxy]-3-ethoxybenzaldehyde
• CAS No.: 299441-96-6
• Molecular Formula: C₁₆H₁₅ClO₃
• Molecular Weight: 290.746
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID50351216
• Wikidata: Q82127441
• Pharos Ligand ID: RKYLPB8AWAFJ
• ChEMBL ID: CHEMBL4111499
• Mol file: 299441-96-6.mol

Synonyms:4-[(4-chlorobenzyl)oxy]-3-ethoxybenzaldehyde;299441-96-6;4-[(4-chlorophenyl)methoxy]-3-ethoxybenzaldehyde;MFCD01191265;4-((4-Chlorobenzyl)oxy)-3-ethoxybenzaldehyde;CBMicro_029970;Cambridge id 5736687;Oprea1_305220;Oprea1_823279;CHEMBL4111499;SCHEMBL13220784;BDBM97488;DTXSID50351216;BBL015219;STK199531;AKOS000201883;NS-04856;BIM-0029892.P001;CS-0117263;EN300-228654;US8470816, 629;Z25620204;4-[(4-Chlorobenzyl)oxy]-3-ethoxybenzaldehyde, AldrichCPR

Chemical Property of 4-[(4-Chlorobenzyl)oxy]-3-ethoxybenzaldehyde

Chemical Property:

• Vapor Pressure: 1.23E-07mmHg at 25°C
• Refractive Index: 1.589
• Boiling Point: 431.1°C at 760 mmHg
• Flash Point: 169.9°C
• PSA: 35.53000
• Density: 1.22g/cm³
• LogP: 4.13020
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 290.0709720
• Heavy Atom Count: 20
• Complexity: 289

Purity/Quality:

97% ^*data from raw suppliers

4-[(4-Chlorobenzyl)oxy]-3-ethoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=CC(=C1)C=O)OCC2=CC=C(C=C2)Cl

Technology Process of 4-[(4-Chlorobenzyl)oxy]-3-ethoxybenzaldehyde

There total 1 articles about 4-[(4-Chlorobenzyl)oxy]-3-ethoxybenzaldehyde 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: 75.0%

4-hydroxy-3-ethoxybenzaldehyde (121-32-4) + 1-Chloro-4-(chloromethyl)benzene (104-83-6) → 4-(4-chlorobenzyloxy)-3-ethoxybenzaldehyde (299441-96-6)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 70 ℃; for 3h;

DOI:10.1016/j.bmcl.2014.09.015

Reference yield:

4-(aminomethyl)pyridine (3731-53-1) + 4-(4-chlorobenzyloxy)-3-ethoxybenzaldehyde (299441-96-6) → C22H21ClN2O2

Guidance literature:

In 1,2-dichloro-ethane; at 20 ℃; for 3h;

DOI:10.1016/j.bmcl.2014.09.015

Reference yield:

4-(4-chlorobenzyloxy)-3-ethoxybenzaldehyde (299441-96-6) → N-(4-(4-chlorobenzyloxy)-3-ethoxybenzyl)-1-(pyridin-4-yl)methanamine

Guidance literature:

Multi-step reaction with 2 steps

1: 1,2-dichloro-ethane / 3 h / 20 °C

2: sodium tris(acetoxy)borohydride / 1,2-dichloro-ethane / 26 h / 20 °C

With sodium tris(acetoxy)borohydride; In 1,2-dichloro-ethane;

DOI:10.1016/j.bmcl.2014.09.015

upstream raw materials:

4-hydroxy-3-ethoxybenzaldehyde

1-Chloro-4-(chloromethyl)benzene

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