4-[(2,4-Dichlorophenyl)methoxy]benzaldehyde

Base Information

• Chemical Name: 4-[(2,4-Dichlorophenyl)methoxy]benzaldehyde
• CAS No.: 70627-17-7
• Molecular Formula: C14H10Cl2O2
• Molecular Weight: 281.138
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID10352769
• Wikidata: Q82130099
• ChEMBL ID: CHEMBL2088928
• Mol file: 70627-17-7.mol

Synonyms:70627-17-7;4-[(2,4-dichlorophenyl)methoxy]benzaldehyde;4-[(2,4-dichlorobenzyl)oxy]benzaldehyde;4-(2,4-dichlorobenzyloxy)benzaldehyde;4-[(2,4-DICHLOROBENZYL)OXY]BENZENECARBALDEHYDE;4-((2,4-Dichlorobenzyl)oxy)benzaldehyde;Benzaldehyde,4-[(2,4-dichlorophenyl)methoxy]-;4-(2,4-Dichloro-benzyloxy)-benzaldehyde;SCHEMBL8424941;2-Fluorobiphenyl-2-carbaldehyde;CHEMBL2088928;DTXSID10352769;BBL016396;MFCD00610864;STK200409;AKOS000287242;NCGC00339606-01;BB 0243308;CS-0116520;FT-0641303;EN300-92348;AB01331755-02;12P-044;A836944;AG-690/09287002;J-513140;Z26334970

Chemical Property of 4-[(2,4-Dichlorophenyl)methoxy]benzaldehyde

Chemical Property:

• Vapor Pressure: 2.95E-07mmHg at 25°C
• Melting Point: 102-104°C
• Refractive Index: 1.623
• Boiling Point: 419.8 °C at 760 mmHg
• Flash Point: 173.2 °C
• PSA: 26.30000
• Density: 1.34 g/cm³
• LogP: 4.38490
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 280.0057849
• Heavy Atom Count: 18
• Complexity: 265

Purity/Quality:

98%min ^*data from raw suppliers

4-[(2,4-Dichlorobenzyl)oxy]benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=O)OCC2=C(C=C(C=C2)Cl)Cl

Technology Process of 4-[(2,4-Dichlorophenyl)methoxy]benzaldehyde

There total 3 articles about 4-[(2,4-Dichlorophenyl)methoxy]benzaldehyde 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: 82.0%

2,4-Dichlorobenzyl chloride (94-99-5) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-[(2,4-dichlorophenyl)methoxy]benzaldehyde (70627-17-7)

Guidance literature:

4-hydroxy-benzaldehyde; With potassium tert-butylate; In dimethyl sulfoxide; at 5 - 10 ℃; for 0.666667h;

2,4-Dichlorobenzyl chloride; In dimethyl sulfoxide; at 5 - 20 ℃;

DOI:10.1016/j.ejmech.2011.06.037

Reference yield:

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) + 2,4-dichlorobenzyl bromide (20443-99-6) → 4-[(2,4-dichlorophenyl)methoxy]benzaldehyde (70627-17-7)

Guidance literature:

4-hydroxy-benzaldehyde; With potassium carbonate; In N,N-dimethyl-formamide; for 0.166667h;

2,4-dichlorobenzyl bromide; In N,N-dimethyl-formamide; at 80 ℃; for 16h;

DOI:10.1016/j.bmcl.2018.03.010

Reference yield:

→ 4-[(2,4-dichlorophenyl)methoxy]benzaldehyde (70627-17-7)

Guidance literature:

/BRN= 1967930/;

upstream raw materials:

2,4-Dichlorobenzyl chloride

4-hydroxy-benzaldehyde

2,4-dichlorobenzyl bromide

Downstream raw materials:

C₁₅H₁₃Cl₂N₃OS

Refernces

• 1、 Bhat, Mahima,Gurubasavaraja Swamy,Poojary, Boja,Revanasiddappa,Vijay Kumar,Kumar, Vasantha. "Biological evaluation and in silico molecular docking study of a new series of thiazol-2-yl-hydrazone conglomerates". . p. 2779 - 2805. Retrieved 2018/02/19.
• 2、 Mohd Siddique, Mohd Usman,McCann, Glen J.P.,Sonawane, Vinay R.,Horley, Neill,Gatchie, Linda,Joshi, Prashant,Bharate, Sandip B.,Jayaprakash, Venkatesan,Sinha, Barij N.,Chaudhuri, Bhabatosh. "Quinazoline derivatives as selective CYP1B1 inhibitors". . p. 320 - 327. Retrieved 2017/03/10.