(Z)-2,6-Dichlorobenzaldehyde oxime

Base Information

• Chemical Name: (Z)-2,6-Dichlorobenzaldehyde oxime
• CAS No.: 25185-95-9
• Molecular Formula: C7H5 Cl2 N O
• Molecular Weight: 190.029
• Hs Code.: 2928000090
• European Community (EC) Number: 246-720-0,609-334-7
• DSSTox Substance ID: DTXSID50418631
• Nikkaji Number: J29.549C
• Mol file: 25185-95-9.mol

Synonyms:(Z)-2,6-Dichlorobenzaldehyde oxime;2,6-Dichlorobenzaldehyde oxime;3714-77-0;25185-95-9;2,6-Dichlorobenzaloxime;(Z)-2,6-Dichlorobenzaldehydeoxime;(E)-2,6-dichlorobenzaldehyde oxime;Benzaldehyde, 2,6-dichloro-, oxime;(NZ)-N-[(2,6-dichlorophenyl)methylidene]hydroxylamine;SCHEMBL2010954;DTXSID50418631;A913868

Chemical Property of (Z)-2,6-Dichlorobenzaldehyde oxime

Chemical Property:

• Appearance/Colour: white crystal powder
• Vapor Pressure: 0.0018mmHg at 25°C
• Melting Point: 147-149 ºC
• Refractive Index: 1.575
• Boiling Point: 280.4 °C at 760 mmHg
• Flash Point: 123.4 °C
• PSA: 32.59000
• Density: 1.38 g/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: 141

Purity/Quality:

99.5% ^*data from raw suppliers

2,6-DICHLOROBENZALDEHYDE OXIME ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Cl)C=NO)Cl
• Isomeric SMILES: C1=CC(=C(C(=C1)Cl)/C=N\O)Cl

Technology Process of (Z)-2,6-Dichlorobenzaldehyde oxime

There total 4 articles about (Z)-2,6-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%

2,6-dichlorobenzaldehyde (83-38-5) → 2,6-dichlorobenzaldoxime (25185-95-9)

Guidance literature:

With hydroxylamine hydrochloride;

DOI:10.1039/b305268k

Reference yield:

2,6-dichlorobenzoic acid (50-30-6) → 2,6-dichlorobenzaldoxime (25185-95-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 4-methyl-morpholine / toluene / 1 h / 20 °C / Inert atmosphere; Sealed tube

2: bis-triphenylphosphine-palladium(II) chloride; Dimethylphenylsilane / toluene / 10 h / 120 °C / Inert atmosphere; Sealed tube

3: hydroxylamine / toluene; water / 2 h / 50 °C / Sealed tube; Inert atmosphere

With 4-methyl-morpholine; bis-triphenylphosphine-palladium(II) chloride; Dimethylphenylsilane; hydroxylamine; In water; toluene;

DOI:10.1002/adsc.202000794

Reference yield:

C12H9Cl2N3O4 → 2,6-dichlorobenzaldoxime (25185-95-9)

Guidance literature:

Multi-step reaction with 2 steps

1: bis-triphenylphosphine-palladium(II) chloride; Dimethylphenylsilane / toluene / 10 h / 120 °C / Inert atmosphere; Sealed tube

2: hydroxylamine / toluene; water / 2 h / 50 °C / Sealed tube; Inert atmosphere

With bis-triphenylphosphine-palladium(II) chloride; Dimethylphenylsilane; hydroxylamine; In water; toluene;

DOI:10.1002/adsc.202000794

upstream raw materials:

2,6-dichlorobenzaldehyde

2,6-dichlorobenzoic acid

Downstream raw materials:

2,6-dichloro-benzonitrile

2,6-dichlorobenzohydroximoyl chloride

9-[3-(2,6-Dichloro-phenyl)-4,5-dihydro-isoxazol-5-yl]-9H-carbazole

C₂₄H₂₃Cl₂N₃O₃

Refernces

• 1、 -. "AN IMPROVED PROCESS FOR PREPARATION OF PURE ALDOXIME". Page/Page column 18-19. . Retrieved 2021/06/22.
• 2、 Azzara, Anthony V.,Cao, Gary G.,Carpenter, Joseph,Cook, Erica M.,Ellsworth, Bruce Alan,Krupinski, Jack,Mosure, Kathy,Rossi, Karen A.,Sitkoff, Doree,Soars, Matthew G.,Wacker, Dean A.,Wang, Tao,Wang, Ying,Wu, Gang,Zhuo, Xiaoliang,Ziegler, Milinda. "Discovery of BMS-986318, a Potent Nonbile Acid FXR Agonist for the Treatment of Nonalcoholic Steatohepatitis". supporting information. p. 1413 - 1420. Retrieved 2021/08/31.