1H-1,2,4-Triazole, 1-acetyl-3-(p-chlorophenyl)-5-methyl-

Base Information

• Chemical Name: 1H-1,2,4-Triazole, 1-acetyl-3-(p-chlorophenyl)-5-methyl-
• CAS No.: 66492-64-6
• Molecular Formula: C11H10ClN3O
• Molecular Weight: 235.6696
• DSSTox Substance ID: DTXSID70216696
• Nikkaji Number: J92.291I
• Wikidata: Q83092978
• ChEMBL ID: CHEMBL111949

Synonyms:BRN 0614226;66492-64-6;1H-1,2,4-Triazole, 1-acetyl-3-(p-chlorophenyl)-5-methyl-;1-Acetyl-3-(p-chlorophenyl)-5-methyl-1,2,4-triazole;5-26-02-00160 (Beilstein Handbook Reference);1-Acetyl-3-(4-chlorophenyl)-5-methyl-1H-1,2,4-triazole;CHEMBL111949;SCHEMBL11268813;DTXSID70216696;PJZJQGCCUDQKRG-UHFFFAOYSA-N;LS-155750

Chemical Property of 1H-1,2,4-Triazole, 1-acetyl-3-(p-chlorophenyl)-5-methyl-

Chemical Property:

• Vapor Pressure: 5.42E-07mmHg at 25°C
• Boiling Point: 411.8°C at 760 mmHg
• Flash Point: 202.9°C
• Density: 1.32g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 235.0512396
• Heavy Atom Count: 16
• Complexity: 266

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=NN1C(=O)C)C2=CC=C(C=C2)Cl

Technology Process of 1H-1,2,4-Triazole, 1-acetyl-3-(p-chlorophenyl)-5-methyl-

There total 2 articles about 1H-1,2,4-Triazole, 1-acetyl-3-(p-chlorophenyl)-5-methyl- 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: 63.0%

acetic anhydride (108-24-7) + 4-Chloro-N-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-benzenecarboximidamide (66492-62-4) → 1-acetyl-3-(4-chloro-phenyl)-5-methyl-1H-[1,2,4]triazole (66492-64-6)

Guidance literature:

1.) 170 deg C, 2.) reflux, 2.5 h;

DOI:10.1021/jm00345a021

Reference yield:

→ 1-acetyl-3-(4-chloro-phenyl)-5-methyl-1H-[1,2,4]triazole (66492-64-6)

Guidance literature:

/BRN= 537741/ (8), Acetanhydrid;

DOI:10.1021/jo01315a020

Reference yield:

1,2,3-triazole (288-36-8) + 1-acetyl-3-(4-chloro-phenyl)-5-methyl-1H-[1,2,4]triazole (66492-64-6) → 3-(4-chlorophenyl)-α,5-dimethyl-1H-1,2,4-triazole-1-methanol, acetate ester (82843-09-2)

Guidance literature:

With sodium hydroxide; In chloroform; acetonitrile;

upstream raw materials:

acetic anhydride

4-Chloro-N-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-benzenecarboximidamide

Downstream raw materials:

3-(4-chlorophenyl)-α,5-dimethyl-1H-1,2,4-triazole-1-methanol, acetate ester

3-(4-Chlorophenyl)-5-methyl-1H-1,2,4-triazole

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 66492-64-6 1-acetyl-3-(4-chlorophenyl)-5-methyl-1H-1,2,4-triazole

Send

Send

Metric Ton KG G Pound L ML

Send

Send