3-[(2,4-Dichlorophenoxy)methyl]-5-phenyl-1,2,4-oxadiazole

Base Information

• Chemical Name: 3-[(2,4-Dichlorophenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
• CAS No.: 4780-17-0
• Molecular Formula: C15H10Cl2N2O2
• Molecular Weight: 373.317
• DSSTox Substance ID: DTXSID40372339
• Wikidata: Q82159999
• Mol file: 4780-17-0.mol

Synonyms:4780-17-0;3-[(2,4-dichlorophenoxy)methyl]-5-phenyl-1,2,4-oxadiazole;Tetra-O-acetyl-2-deoxy-2-isocyanato-b-D-glucopyranose;3-((2,4-Dichlorophenoxy)methyl)-5-phenyl-1,2,4-oxadiazole;Oprea1_226335;DTXSID40372339;BRD-K40631564-001-01-5

Chemical Property of 3-[(2,4-Dichlorophenoxy)methyl]-5-phenyl-1,2,4-oxadiazole

Chemical Property:

• Vapor Pressure: 7.05E-09mmHg at 25°C
• Boiling Point: 479.1°C at 760 mmHg
• Flash Point: 243.6°C
• Density: 1.38g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 320.0119330
• Heavy Atom Count: 21
• Complexity: 329

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC(=NO2)COC3=C(C=C(C=C3)Cl)Cl

Technology Process of 3-[(2,4-Dichlorophenoxy)methyl]-5-phenyl-1,2,4-oxadiazole

There total 5 articles about 3-[(2,4-Dichlorophenoxy)methyl]-5-phenyl-1,2,4-oxadiazole 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%

bis(trichloromethyl) carbonate (32315-10-9) + 1,3,4,6-tetra-O-acetyl-D-glucosamine hydrochloride (5432-46-2,10034-19-2,10034-20-5,34948-62-4,110253-00-4,1191127-63-5) → 1,3,4,6-tetra-O-acetyl-2-deoxy-2-isocyanato-β-D-glucopyranose (4780-17-0)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; at 0 ℃; for 0.166667h;

DOI:10.1016/j.tet.2005.07.041

Reference yield: 95.0%

phosgene (75-44-5) → 1,3,4,6-tetra-O-acetyl-2-deoxy-2-isocyanato-β-D-glucopyranose (4780-17-0)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; toluene; at 0 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/acs.joc.6b00200

Reference yield: 51.0%

phosgene (75-44-5) + 1,3,4,6-tetra-O-acetyl-D-glucosamine hydrochloride (5432-46-2,10034-19-2,10034-20-5,34948-62-4,110253-00-4,1191127-63-5) → 1,3,4,6-tetra-O-acetyl-2-deoxy-2-isocyanato-β-D-glucopyranose (4780-17-0)

Guidance literature:

With pyridine; In dichloromethane; toluene; at 0 ℃; for 2.5h;

DOI:10.1002/ejoc.200500601

upstream raw materials:

bis(trichloromethyl) carbonate

1,3,4,6-tetra-O-acetyl-D-glucosamine hydrochloride

phosgene

6-(hydroxymethyl)-3-[4-methoxybenzylideneamino]tetrahydropyran-2,4,5-triol

Downstream raw materials:

1,3,4,6-tetra-O-acetyl-2-deoxy-2-<3-(4-tolylureido)>-β-D-glucopyranose

2-deoxy-2-<3-(4-tolylureido)>-α-D-glucopyranose

C₁₃H₁₇ClN₂O₆

2-<3-(4-chlorophenylureido)>-2-deoxy-α-D-glucopyranose