2,6-Dichlorobenzonitrile N-oxide

Base Information

• Chemical Name: 2,6-Dichlorobenzonitrile N-oxide
• CAS No.: 2904-62-3
• Molecular Formula: C7H3 Cl2 N O
• Molecular Weight: 188.013
• European Community (EC) Number: 220-805-2
• DSSTox Substance ID: DTXSID30183279
• Nikkaji Number: J306.830G
• Wikidata: Q83054018
• Mol file: 2904-62-3.mol

Synonyms:2,6-dichlorobenzonitrile oxide

Chemical Property of 2,6-Dichlorobenzonitrile N-oxide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 30.67000
• Density: 1.37g/cm³
• LogP: 2.89858
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 186.9591691
• Heavy Atom Count: 11
• Complexity: 185

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,6-Dichlorobenzonitrile N-oxide

There total 8 articles about 2,6-Dichlorobenzonitrile N-oxide 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%

2,6-dichlorobenzaldoxime (25185-95-9) → 2,6-dichlorobenzonitrile N-oxide (2904-62-3)

Guidance literature:

With N-chlorobenzotriazole; In dichloromethane; for 0.0833333h; Ambient temperature;

Reference yield:

2,6-dichlorobenzohydroximoyl chloride (6579-27-7) → 2,6-dichlorobenzonitrile N-oxide (2904-62-3)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 5 ℃;

DOI:10.1016/j.tet.2012.05.027

Reference yield:

(1E)-2,6-dichlorobenzaldehyde oxime (6575-28-6) → 2,6-dichlorobenzonitrile N-oxide (2904-62-3)

Guidance literature:

With N-chloro-succinimide; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

DOI:10.1016/j.bmcl.2006.05.055

upstream raw materials:

2,6-dichlorobenzaldoxime

2,6-Dichloro-N-hydroxybenzenecarboximidoyl chloride

(1E)-2,6-dichlorobenzaldehyde oxime

2,6-dichlorobenzohydroximoyl chloride

Downstream raw materials:

3-(2,6-dichloro-phenyl)-5,5-diphenyl-[1,4,2]oxathiazole

6t,7t-dichloro-4-(2,6-dichloro-phenyl)-(1rH,5cH)-2-oxa-3-aza-bicyclo[3.2.0]hept-3-ene

6c,7c-dichloro-4-(2,6-dichloro-phenyl)-(1rH,5cH)-2-oxa-3-aza-bicyclo[3.2.0]hept-3-ene

3-(2,6-dichloro-phenyl)-isoxazole-4-carbonitrile

Refernces

• 1、 Gütz, Christoph,Stenglein, Andreas,Waldvogel, Siegfried R.. "Highly Modular Flow Cell for Electroorganic Synthesis". . p. 771 - 778. Retrieved 2017/05/29.
• 2、 Krompiec, Stanis?aw,Bujak, Piotr,Malarz, Joanna,Krompiec, Micha?,Skórka, ?ukasz,Pluta, Tadeusz,Danikiewicz, Witold,Kania, Magdalena,Kusz, Joachim. "An isomerization-1,3-dipolar cycloaddition tandem reaction towards the synthesis of 3-aryl-4-methyl-5-O-substituted isoxazolines from O-allyl compounds". . p. 6018 - 6031. Retrieved 2012/09/22.