3,6-Bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine

Base Information

• Chemical Name: 3,6-Bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine
• CAS No.: 74115-15-4
• Molecular Formula: C14H10 Cl2 N4
• Molecular Weight: 305.166
• DSSTox Substance ID: DTXSID70512781
• Wikidata: Q82372176
• Mol file: 74115-15-4.mol

Synonyms:74115-15-4;3,6-bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine;3,6-BIS(2-CHLOROPHENYL)-1,2-DIHYDRO-1,2,4,5-TETRAZINE;SCHEMBL11256115;DTXSID70512781;AE C522505;NS00067237

Chemical Property of 3,6-Bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine

Chemical Property:

• Melting Point: 209-210 °C(Solv: ethanol (64-17-5))
• Boiling Point: 426.6±55.0 °C(Predicted)
• PKA: 2.65±0.20(Predicted)
• PSA: 57.36000
• Density: 1.45±0.1 g/cm3(Predicted)
• LogP: 4.33580
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 304.0282517
• Heavy Atom Count: 20
• Complexity: 372

Purity/Quality:

99% ^*data from raw suppliers

3,6-BIS-(2-CHLOROPHENYL)-1,2-DIHYDRO-1,2,4,5-TETRAZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C2=NNC(=NN2)C3=CC=CC=C3Cl)Cl

Technology Process of 3,6-Bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine

There total 4 articles about 3,6-Bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine 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: 54.4%

C14H8Cl4N2 → 3,6-bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine (74115-15-4)

Guidance literature:

With hydrazine hydrate; In ethanol; for 0.75h; Heating;

DOI:10.1016/j.bmcl.2006.04.066

Reference yield:

2-Chlorobenzonitrile (873-32-5) → 3,6-bis(2-chlorophenyl)-1,2-dihydro-1,2,4,5-tetrazine (74115-15-4)

Guidance literature:

With sulfur; hydrazine;

DOI:10.1016/j.bmcl.2003.12.056

Reference yield:

bis(α,2-dichlorobenzylidene)hydrazine (792-39-2) → 3,6-bis(2-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine (74115-15-4)

Guidance literature:

With hydrazine hydrate; cooling;

DOI:10.1107/S0108270103026945

upstream raw materials:

2-Chlorobenzonitrile

bis(α,2-dichlorobenzylidene)hydrazine

Downstream raw materials:

bisclofentezin

3,5-bis(2-chlorophenyl)-4-amino-1H-1,2,4-triazole