2-(3,5-Dichlorophenyl)acetaldehyde

Base Information

• Chemical Name: 2-(3,5-Dichlorophenyl)acetaldehyde
• CAS No.: 109346-95-4
• Molecular Formula: C8H6 Cl2 O
• Molecular Weight: 189.041
• DSSTox Substance ID: DTXSID10591671
• Nikkaji Number: J3.449.140B
• Wikidata: Q82485505
• Mol file: 109346-95-4.mol

Synonyms:2-(3,5-DICHLOROPHENYL)ACETALDEHYDE;109346-95-4;(3,5-Dichlorophenyl)acetaldehyde;SCHEMBL2654048;DTXSID10591671;AKOS006278021;CS-0240146;EN300-225832;Z1198160278

Chemical Property of 2-(3,5-Dichlorophenyl)acetaldehyde

Chemical Property:

• Boiling Point: 269.4±25.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.317±0.06 g/cm3(Predicted)
• LogP: 2.73480
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 187.9795702
• Heavy Atom Count: 11
• Complexity: 128

Purity/Quality:

98%Min ^*data from raw suppliers

2-(3,5-DICHLOROPHENYL)ACETALDEHYDE ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1Cl)Cl)CC=O

Technology Process of 2-(3,5-Dichlorophenyl)acetaldehyde

There total 3 articles about 2-(3,5-Dichlorophenyl)acetaldehyde 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: 70.0%

concentrated acetic acid + 1-(4-amino-3,5-dichlorophenyl)-1-ethanone (37148-48-4) + hypophosphorous acid (6303-21-5) → 2-(3,5-dichlorophenyl)acetaldehyde (109346-95-4)

Guidance literature:

With hydrogenchloride; sodium nitrite; In water;

Reference yield: 60.0%

2-(3,5-dichlorophenyl)acetic acid (51719-65-4) → 2-(3,5-dichlorophenyl)acetaldehyde (109346-95-4)

Guidance literature:

2-(3,5-dichlorophenyl)acetic acid; With borane tetrahydrofuran; In tetrahydrofuran; at 0 - 20 ℃; for 3h;

With Dess-Martin periodane; In dichloromethane; at 0 - 20 ℃; for 1h;

DOI:10.1021/acs.jmedchem.5b00561

Reference yield:

3,5-dichloroiodobenzene (3032-81-3) → 2-(3,5-dichlorophenyl)acetaldehyde (109346-95-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: palladium dichloride; sodium acetate; silver(I) acetate / 16 h / 130 °C

2.1: borane tetrahydrofuran / tetrahydrofuran / 3 h / 0 - 20 °C

2.2: 1 h / 0 - 20 °C

With silver(I) acetate; sodium acetate; borane tetrahydrofuran; palladium dichloride; In tetrahydrofuran; 2.2: |Dess-Martin Oxidation;

DOI:10.1021/acs.jmedchem.5b00561

upstream raw materials:

1-(4-amino-3,5-dichlorophenyl)-1-ethanone

hypophosphorous acid

2-(3,5-dichlorophenyl)acetic acid

3,5-dichloroiodobenzene

Refernces

• 1、 -. "Fungicidal arylpyrazoles". . . Retrieved 2008/06/13.