3-[(2,4-Dichlorophenyl)methyl]-5-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazole

Base Information

• Chemical Name: 3-[(2,4-Dichlorophenyl)methyl]-5-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazole
• CAS No.: 5814-04-0
• Molecular Formula: C20H14Cl2N2O2
• Molecular Weight: 252.357
• DSSTox Substance ID: DTXSID70362122
• Wikidata: Q82144899

Synonyms:5814-04-0;3-(2,4-Dichlorobenzyl)-5-((naphthalen-1-yloxy)methyl)-1,2,4-oxadiazole;3-[(2,4-dichlorophenyl)methyl]-5-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazole;Oprea1_315114;DTXSID70362122;3-[(2,4-DICHLOROPHENYL)METHYL]-5-[(NAPHTHALEN-1-YLOXY)METHYL]-1,2,4-OXADIAZOLE

Chemical Property of 3-[(2,4-Dichlorophenyl)methyl]-5-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazole

Chemical Property:

• Vapor Pressure: 9.23E-13mmHg at 25°C
• Boiling Point: 578.1°Cat760mmHg
• Flash Point: 303.4°C
• PSA: 48.15000
• Density: 1.371g/cm³
• LogP: 5.69940
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 384.0432331
• Heavy Atom Count: 26
• Complexity: 456

Purity/Quality:

N'-(cyclohexylcarbonyl)cyclohexanecarbohydrazide(non-preferredname) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2OCC3=NC(=NO3)CC4=C(C=C(C=C4)Cl)Cl

Technology Process of 3-[(2,4-Dichlorophenyl)methyl]-5-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazole

There total 8 articles about 3-[(2,4-Dichlorophenyl)methyl]-5-(naphthalen-1-yloxymethyl)-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: 62.0%

benzeneseleninic acid (6996-92-5) + cyclohexanecarbohydrazide (38941-47-8) → 1,2-bis-(cyclohexanecarbonyl)hydrazine (5814-04-0) + Se-phenyl cyclohexanecarboselenoate (60718-41-4) + Cyclohexanecarboxylic acid (98-89-5)

Guidance literature:

In dichloromethane; for 0.166667h; Product distribution; other solvents, other aroylhydrazines, radical inhibitor;

DOI:10.1021/jo00321a008

Reference yield: 50.0%

cyclohexanecarbohydrazide (38941-47-8) → 1,2-bis-(cyclohexanecarbonyl)hydrazine (5814-04-0)

Guidance literature:

With bis(3-(trifluoromethyl)benzenesulfonyl) peroxide; In dichloromethane; at 25 ℃; for 3h;

DOI:10.1021/jo00195a028

Reference yield: 40.0%

cyclohexanecarbohydrazide (38941-47-8) → 1,2-bis-(cyclohexanecarbonyl)hydrazine (5814-04-0) + Se-phenyl cyclohexanecarboselenoate (60718-41-4)

Guidance literature:

With benzeneseleninic acid; In dichloromethane; for 0.166667h;

DOI:10.1021/jo00321a008

upstream raw materials:

cyclohexanecarbohydrazide

cyclohexanylcarbonyl chloride

benzeneseleninic acid

1,3-diaminoguanidine hydrochloride

Downstream raw materials:

1,2-Bis(α-chlorcyclohexylmethylen)hydrazin

N,N'-bis-cyclohexylmethyl-hydrazine

3,6-Dicyclohexyl-1,4-dimethyl-1,4-dihydro-1,2,4,5-tetrazin

3,6-Dicyclohexyl-1,2-dimethyl-1,2-dihydro-1,2,4,5-tetrazin

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