2,3-Dichlorobenzaldehyde oxime

Base Information

• Chemical Name: 2,3-Dichlorobenzaldehyde oxime
• CAS No.: 4414-54-4
• Molecular Formula: C7H5 Cl2 N O
• Molecular Weight: 190.029
• Hs Code.: 2928000090
• European Community (EC) Number: 875-427-6
• DSSTox Substance ID: DTXSID80352099
• Mol file: 4414-54-4.mol

Synonyms:2,3-dichlorobenzaldehyde oxime;4414-54-4;N-[(2,3-dichlorophenyl)methylidene]hydroxylamine;2,3-Dichlorobenzaldoxime;2,3-Dichlor-benzaldoxim;Maybridge1_008391;2,3 dichlorobenzaldehyde oxime;DTXSID80352099;UDEADLUKAYYZNF-UHFFFAOYSA-N;FT-0609551;A826499;N-[[2,3-bis(chloranyl)phenyl]methylidene]hydroxylamine

Chemical Property of 2,3-Dichlorobenzaldehyde oxime

Chemical Property:

• Vapor Pressure: 0.00115mmHg at 25°C
• Melting Point: 127-129
• Refractive Index: 1.575
• Boiling Point: 287.5°C at 760 mmHg
• Flash Point: 127.7°C
• PSA: 32.59000
• Density: 1.38g/cm³
• LogP: 2.80150
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 188.9748192
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

98%Min ^*data from raw suppliers

2,3-Dichlorobenzaldoxime ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Cl)Cl)C=NO
• Uses: 2,3-Dichlorobenzaldoxime is used in preparation of substituted heterocyclic compounds for the treatment of cardiovascular diseases.

Technology Process of 2,3-Dichlorobenzaldehyde oxime

There total 3 articles about 2,3-Dichlorobenzaldehyde oxime 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: 100.0%

→ 2,3-dichlorobenzaldehyde oxime (4414-54-4)

Guidance literature:

Reference yield: 99.0%

2,3-dichlorobenzylaldehyde (6334-18-5) → 2,3-dichlorobenzaldehyde oxime (4414-54-4)

Guidance literature:

With pyridine; hydroxylamine hydrochloride; In methanol; at 20 ℃; for 2.5h;

DOI:10.1016/j.bmc.2013.07.049

Reference yield:

2,3-dichlorobenzylaldehyde (6334-18-5) → 2,3-dichlorobenzonitrile (6574-97-6) + 2,3-dichlorobenzaldehyde oxime (4414-54-4)

Guidance literature:

With formic acid; hydroxylamine hydrochloride; sodium acetate; In water; at 80 ℃; for 8h;

DOI:10.1039/d1ra03559b

upstream raw materials:

2,3-dichlorobenzylaldehyde

Downstream raw materials:

S-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-2,3-dichlorophenylthiohydroxamate

potassium 2,3,4,6-tetra-O-acetyl-2,3-dichlorophenylglucosinolate

C₁₃H₁₄Cl₂NO₉S₂^(1-)*K⁽¹⁺⁾

2,3-dichlorobenzohydroximoyl chloride

Refernces

• 1、 Calixto, Stephane Lima,Carvalho, Guilherme da Silva Louren?o,Coimbra, Elaine Soares,Granato, Juliana da Trindade,Louren?o, Maria Cristina da Silva,Wardell, James,da Costa, Cristiane Fran?a,de Souza, Marcus Vinicius Nora. "Synthesis and SAR study of simple aryl oximes and nitrofuranyl derivatives with potent activity against Mycobacterium tuberculosis". . p. 12 - 20. Retrieved 2020/02/06.
• 2、 Vo, Quan V.,Rochfort, Simone,Nam, Pham C.,Nguyen, Tuan L.,Nguyen, Trung T.,Mechler, Adam. "Synthesis of aromatic and indole alpha-glucosinolates". . p. 45 - 53. Retrieved 2017/11/23.