4-[(3,4-Dichlorophenyl)methoxy]-3-nitrobenzaldehyde

Base Information

• Chemical Name: 4-[(3,4-Dichlorophenyl)methoxy]-3-nitrobenzaldehyde
• CAS No.: 175136-20-6
• Molecular Formula: C14H9Cl2NO4
• Molecular Weight: 326.136
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID30404653
• Wikidata: Q82208937
• Mol file: 175136-20-6.mol

Synonyms:175136-20-6;4-((3,4-Dichlorobenzyl)oxy)-3-nitrobenzaldehyde;4-[(3,4-dichlorophenyl)methoxy]-3-nitrobenzaldehyde;4-(3,4-dichlorobenzyloxy)-3-nitrobenzaldehyde;4-[(3,4-Dichlorobenzyl)oxy]-3-nitrobenzenecarbaldehyde;SCHEMBL1508495;Benzaldehyde,4-[(3,4-dichlorophenyl)methoxy]-3-nitro-;DTXSID30404653;JS-077C;SVVIVJQFEIJBPS-UHFFFAOYSA-N;MFCD00173646;AKOS005073070;CS-0333859;FT-0643676;A811751;J-513146;Benzaldehyde, 4-[(3,4-dichlorophenyl)methoxy]-3-nitro-;4-(3,4-dichlorobenzyloxy)-3-nitrobenzaldehyde, AldrichCPR

Chemical Property of 4-[(3,4-Dichlorophenyl)methoxy]-3-nitrobenzaldehyde

Chemical Property:

• Vapor Pressure: 7.14E-10mmHg at 25°C
• Refractive Index: 1.646
• Boiling Point: 493.3 °C at 760 mmHg
• Flash Point: 252.1 °C
• PSA: 72.12000
• Density: 1.472g/cm³
• LogP: 4.81630
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 324.9908632
• Heavy Atom Count: 21
• Complexity: 377

Purity/Quality:

98%min ^*data from raw suppliers

4-[(3,4-Dichlorobenzyl)oxy]-3-nitrobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1COC2=C(C=C(C=C2)C=O)[N+](=O)[O-])Cl)Cl

Technology Process of 4-[(3,4-Dichlorophenyl)methoxy]-3-nitrobenzaldehyde

There total 1 articles about 4-[(3,4-Dichlorophenyl)methoxy]-3-nitrobenzaldehyde 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: 40.0%

4-hydroxy-3-nitrobenzaldehyde (3011-34-5) + 3,4-dichlorobenzyl alcohol (1805-32-9) → 4-((3,4-dichlorobenzyl)oxy)-3-nitrobenzaldehyde (175136-20-6)

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; at 20 ℃; for 2h; Inert atmosphere;

Reference yield: 87.0%

4-((3,4-dichlorobenzyl)oxy)-3-nitrobenzaldehyde (175136-20-6) + ethyl acetate (141-78-6) → ethyl 3-{4-[(3,4-dichlorobenzyl)oxy]-3-nitrophenyl}-3-hydroxypropanoate (1202577-46-5)

Guidance literature:

ethyl acetate; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 1h;

4-((3,4-dichlorobenzyl)oxy)-3-nitrobenzaldehyde; In tetrahydrofuran; at -78 ℃; for 0.5h; Inert atmosphere;

Reference yield: 18.0%

4-((3,4-dichlorobenzyl)oxy)-3-nitrobenzaldehyde (175136-20-6) + 3-azetidinecarboxylic acid (36476-78-5) → 1-(4-((3,4-dichlorobenzyl)oxy)-3-nitrobenzyl)azetidine-3-carboxylic acid (1240307-63-4)

Guidance literature:

With methanol; In dichloromethane; at 20 ℃;

upstream raw materials:

4-hydroxy-3-nitrobenzaldehyde

3,4-dichlorobenzyl alcohol

Downstream raw materials:

1-(4-((3,4-dichlorobenzyl)oxy)-3-nitrobenzyl)azetidine-3-carboxylic acid

ethyl 3-{4-[(3,4-dichlorobenzyl)oxy]-3-nitrophenyl}-3-hydroxypropanoate

ethyl 3-{4-[(3,4-dichlorobenzyl)oxy]-3-nitrophenyl}-3-ethoxypropanoate

3-{4-[(3,4-dichlorobenzyl)oxy]-3-nitrophenyl}-3-ethoxypropanoic acid

Refernces

• 1、 -. "CARBOXYLIC ACID COMPOUND". Page/Page column 48. . Retrieved 2011/04/14.