3-(1-Benzyltriazol-4-yl)prop-2-enal

Base Information

• Chemical Name: 3-(1-Benzyltriazol-4-yl)prop-2-enal
• CAS No.: 13482-78-5
• Molecular Formula: C12H11 N3 O
• Molecular Weight: 213.24
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID10407081
• Mol file: 13482-78-5.mol

Synonyms:3-(1-benzyltriazol-4-yl)prop-2-enal;(2E)-3-(1-benzyl-1H-1,2,3-triazol-4-yl)acrylaldehyde;13482-78-5;DTXSID10407081;AKOS030700607

Chemical Property of 3-(1-Benzyltriazol-4-yl)prop-2-enal

Chemical Property:

• Vapor Pressure: 6.29E-08mmHg at 25°C
• Melting Point: 85-86.5 °C
• Boiling Point: 439.6°Cat760mmHg
• PKA: -0.57±0.10(Predicted)
• Flash Point: 219.7°C
• PSA: 47.78000
• Density: 1.14g/cm³
• LogP: 1.53850
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 213.090211983
• Heavy Atom Count: 16
• Complexity: 249

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

(2E)-3-(1-BENZYL-1H-1,2,3-TRIAZOL-4-YL)ACRYLALDEHYDE 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)CN2C=C(N=N2)C=CC=O

Technology Process of 3-(1-Benzyltriazol-4-yl)prop-2-enal

There total 1 articles about 3-(1-Benzyltriazol-4-yl)prop-2-enal 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:

→ 3-(1-benzyl-1H-[1,2,3]triazol-4-yl)-propenal (13482-78-5)

Guidance literature:

N-Benzyl-3-acetylaminopyridiniumbromid: 1) wss.sd.HBr 2) NaNO2 (4-8grad) 3) NaOAc;

Reference yield:

C30H52N9O12P + 3-(1-benzyl-1H-[1,2,3]triazol-4-yl)-propenal (13482-78-5) → C42H61N12O12P

Guidance literature:

With acetic acid; In dimethyl sulfoxide; at 20 ℃;

DOI:10.1016/j.bmcl.2016.08.098

Reference yield:

C31H54N9O12P + 3-(1-benzyl-1H-[1,2,3]triazol-4-yl)-propenal (13482-78-5) → C43H63N12O12P

Guidance literature:

With acetic acid; In dimethyl sulfoxide; at 20 ℃;

DOI:10.1016/j.bmcl.2016.08.098

Downstream raw materials:

5-[3-(1-benzyl-1H-[1,2,3]triazol-4-yl)-allylidene]-3-ethyl-2-thioxo-thiazolidin-4-one

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