Benzalazine

Base Information

• Chemical Name: Benzalazine
• CAS No.: 588-68-1
• Molecular Formula: C14H12 N2
• Molecular Weight: 208.263
• Hs Code.: 2928009090
• European Community (EC) Number: 209-627-6,631-102-9
• NSC Number: 3269
• UNII: G68LHD5XNY
• ChEMBL ID: CHEMBL3199194
• Mol file: 588-68-1.mol

Synonyms:benzalazine

Chemical Property of Benzalazine

Chemical Property:

• Vapor Pressure: 0.000681mmHg at 25°C
• Melting Point: 92-93 °C(lit.)
• Boiling Point: 318.3°Cat760mmHg
• PKA: 6.72±0.50(Predicted)
• Flash Point: 138.3°C
• PSA: 24.72000
• Density: 0.98g/cm³
• LogP: 3.13960
• Storage Temp.: 0-10°C
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 208.100048391
• Heavy Atom Count: 16
• Complexity: 207

Purity/Quality:

98%,99%, ^*data from raw suppliers

Benzalazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Hydrazines
• Canonical SMILES: C1=CC=C(C=C1)C=NN=CC2=CC=CC=C2
• Isomeric SMILES: C1=CC=C(C=C1)/C=N/N=C/C2=CC=CC=C2
• Uses: BENZALDEHYDE AZINE is used in the synthesis of a variety of antibacterial and antifungal activities of symmetric and asymmetric azines.

Technology Process of Benzalazine

There total 55 articles about Benzalazine 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: 89.0%

benzaldehyde p-toluenesulfonylhydrazone (1666-17-7) → 1,2-di(benzylidene)hydrazine (588-68-1)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; nitromethane; at 110 ℃; for 10h; Schlenk technique;

DOI:10.1016/j.tet.2013.03.055

Reference yield: 88.0%

5-benzylidenebarbituric acid (27402-47-7) → 1,2-di(benzylidene)hydrazine (588-68-1)

Guidance literature:

With hydrazine hydrate; In methanol; Reflux;

Reference yield: 78.0%

benzyl alcohol (100-51-6,185532-71-2) → 1,2-di(benzylidene)hydrazine (588-68-1)

Guidance literature:

With hydrazine hydrate; [RuHCl(CO)(2,6-bis[(di-tertbutylphosphino)methyl]pyridine)]; In toluene; at 130 ℃; for 67h; Molecular sieve; Reflux; Schlenk technique;

DOI:10.1021/acscatal.6b02946

upstream raw materials:

3-methyl-4,5-dihydro-6-oxopyridazine

benzaldehyde

phenyldiazomethane

{Ta(O-2,6-C6H3-i-Pr2)3(THF)}2(μ-N2)

Downstream raw materials:

4,8-Diphenyl-octahydro-2,6-dithia-3b,7b-diaza-dicyclopenta[a,e]pentalene 2,2,6,6-tetraoxide

1,3,5-Triphenyl-4-benzylideneamino-1,2,4-Δ2-triazoline

1,5-Diphenyl-3-(4-nitrophenyl)-4-benzylideneamino-1,2,4-Δ2-triazoline

1,3,5-triphenyl-1,2,4-triazole

Refernces

• 1、 Qiu, Shanguang,Chen, Yuxue,Song, Xinming,Liu, Li,Liu, Xi,Wu, Luyong. "Potassium tert -Butoxide Promoted Synthesis of 4,5-Diaryl-2 H -1,2,3-triazoles from Tosylhydrazones and Nitriles". supporting information. p. 86 - 90. Retrieved 2020/11/02.
• 2、 Gunanathan, Chidambaram,Pradhan, Subham,Thiyagarajan, Subramanian. "Ruthenium(ii)-catalysed 1,2-selective hydroboration of aldazines". supporting information. p. 7147 - 7151. Retrieved 2021/08/30.