3,4-Dichlorobenzaldehyde

Base Information

• Chemical Name: 3,4-Dichlorobenzaldehyde
• CAS No.: 6287-38-3
• Molecular Formula: C7H4Cl2O
• Molecular Weight: 175.014
• Hs Code.: 29130000
• European Community (EC) Number: 228-520-5
• NSC Number: 8763
• UN Number: 1759
• UNII: I6Z632WSJ5
• DSSTox Substance ID: DTXSID0024971
• Nikkaji Number: J30.721A
• Wikidata: Q27280518
• ChEMBL ID: CHEMBL1528012
• Mol file: 6287-38-3.mol

Synonyms:3,4-DICHLOROBENZALDEHYDE;6287-38-3;Benzaldehyde, 3,4-dichloro-;CCRIS 6015;NSC 8763;EINECS 228-520-5;MFCD00003351;UNII-I6Z632WSJ5;I6Z632WSJ5;CHEMBL1528012;DTXSID0024971;NSC-8763;NSC8763;3,4-dichlorobenzaldehye;3,4-dichlorobenzaldhyde;3,4 dichlorobenzaldehyde;3,4-dichlorobenzaidehyde;3.4-dichlorobenzaldehyde;4,3-dichlorobenzaldehyde;3,4-dichloro-benzaldehyde;3,4-dichlorobenzal-dehyde;3,4-Dichloro benzaldehyde;SCHEMBL48577;MLS002415698;M,P-DICHLOROBENZALDEHYDE;DTXCID704971;3,4-Dichlorobenzaldehyde, 95%;(3,4-dichloro-phenyl)-methanone;HMS3039L03;DICHLOROBENZALDEHYDE, 3,4-;STR00782;Tox21_200040;BDBM50461952;STL286531;AKOS000119756;AC-2534;AM81353;CS-W007504;LS-1513;3,4-DICHLOROBENZENECARBOXALDEHYDE;NCGC00091729-01;NCGC00091729-02;NCGC00257594-01;SMR001370886;CAS-6287-38-3;D0332;FT-0614224;EN300-18315;D77681;A834060;W-104949;Q27280518;Z57887872;F3099-6602

Chemical Property of 3,4-Dichlorobenzaldehyde

Chemical Property:

• Appearance/Colour: White crystalline solid or chunky powder
• Vapor Pressure: 0.0237mmHg at 25°C
• Melting Point: 39-42 °C(lit.)
• Refractive Index: 1.6
• Boiling Point: 248.8 °C at 760 mmHg
• Flash Point: 102 °C
• PSA: 17.07000
• Density: 1.4 g/cm³
• LogP: 2.80590
• Storage Temp.: 0-6°C
• Sensitive.: Air Sensitive
• Solubility.: soluble in Methanol
• Water Solubility.: INSOLUBLE
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 173.9639201
• Heavy Atom Count: 10
• Complexity: 127
• Transport DOT Label: Corrosive

Purity/Quality:

≥99% ^*data from raw suppliers

3,4-Dichlorobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C, Xi
• Hazard Codes: C,Xi
• Statements: 34-36/37/38
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 3,4-Dichlorobenzaldehyde

There total 24 articles about 3,4-Dichlorobenzaldehyde 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: 98.0%

3,4-dichlorobenzyl alcohol (1805-32-9) → 3,4-dichlorobenzaldehyde (6287-38-3)

Guidance literature:

With tert.-butylhydroperoxide; at 80 ℃; for 7h; Green chemistry;

DOI:10.1016/j.crci.2016.08.003

Reference yield: 90.0%

3,4-Cl2-Ph-CH2OTMS (1162648-58-9) → 3,4-dichlorobenzaldehyde (6287-38-3)

Guidance literature:

With copper(II) nitrate trihydrate; water; silica gel; potassium bromide; at 90 ℃; for 0.7h; Neat (no solvent);

DOI:10.1080/10426507.2011.614300

Reference yield: 88.0%

3,4-dichlorobenzylideneaniline → 3,4-dichlorobenzaldehyde (6287-38-3)

Guidance literature:

With hydrogenchloride; water; In diethyl ether; toluene; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1002/ejoc.201200319

upstream raw materials:

4-chloro-3-nitro-benzaldehyde

3,4-dichlorobenzyl dibromide

3,4-dichlorostyrene

3,4-dichlorobenzyl alcohol

Downstream raw materials:

3t-(3,4-dichloro-phenyl)-2-methyl-acrylic acid

2-(3,4-dichloro-trans-styryl)-1-hexyl-pyridinium; bromide

3c-(3,4-dichloro-phenyl)-2-[2]thienyl-acrylonitrile

3t-(3,4-dichloro-phenyl)-1-[2]thienyl-propenone

Refernces

2-[2-Substituted-3-(3,4-dichlorobenzylamino)propylamino]-1H-quinolin-4-ones as Staphylococcus aureus methionyl-tRNA synthetase inhibitors

10.1016/j.ejmech.2008.02.021

The research focuses on the synthesis and evaluation of new analogues of 2-[2-substituted-3-(3,4-dichlorobenzylamino)propylamino]quinolin-4-ones as inhibitors of Staphylococcus aureus methionyl-tRNA synthetase, an enzyme crucial for protein synthesis and a promising target for antibacterial drug development. The study involves the synthesis of various compounds through a series of chemical reactions, including amination, removal of protective groups, and reductive alkylation, using reactants such as 2-chloro-4-(4-methoxybenzyloxy)quinoline, 2-substituted 1,3-diamines, K2CO3, and 3,4-dichlorobenzaldehyde. The synthesized compounds were then evaluated for their in vitro inhibitory activity against the target enzyme and their antibacterial activities against various strains of S. aureus and Enterococci. The experiments utilized techniques such as silica gel column chromatography, NMR spectroscopy, and mass spectrometry for compound purification and characterization. The minimum inhibitory concentrations (MICs) of the compounds were determined using the microdilution method with Mueller-Hinton Broth and Brain Heart Infusion Broth, following the Clinical and Laboratory Standards Institute (CLSI) guidelines. The study aimed to develop new antibiotics to combat drug-resistant bacteria, including methicillin-resistant S. aureus (MRSA) and vancomycin-resistant Enterococci (VRE).