1-tert-Butoxycarbonyl-1,2,4-triazole

Base Information

• Chemical Name: 1-tert-Butoxycarbonyl-1,2,4-triazole
• CAS No.: 41864-24-8
• Molecular Formula: C7H11 N3 O2
• Molecular Weight: 169.183
• Hs Code.: 2933990090
• European Community (EC) Number: 255-570-5
• DSSTox Substance ID: DTXSID00194655
• Nikkaji Number: J278.282K
• Wikidata: Q83067446
• Mol file: 41864-24-8.mol

Synonyms:41864-24-8;1-tert-Butoxycarbonyl-1,2,4-triazole;1-Boc-1H-1,2,4-triazole;tert-butyl 1H-1,2,4-triazole-1-carboxylate;tert-butyl 1,2,4-triazole-1-carboxylate;1-tert-Butyl 1H-1,2,4-triazole-1-carboxylate;EINECS 255-570-5;1-Boc-1,2,4-triazole;SCHEMBL1167637;DTXSID00194655;MFCD00042665;AKOS006230175;AS-10278;B1969;CS-0154782;FT-0693978;tert-butyl1H-1,2,4-triazole-1-carboxylate;C93479;A872993;1H-1,2,4-Triazole-1-carboxylic acid 1,1-dimethylethyl ester

Chemical Property of 1-tert-Butoxycarbonyl-1,2,4-triazole

Chemical Property:

• Vapor Pressure: 0.0126mmHg at 25°C
• Melting Point: 43-47 °C
• Boiling Point: 75 °C0.35 mm Hg(lit.)
• Flash Point: 111°C
• PSA: 57.01000
• Density: 1.17g/cm³
• LogP: 1.06130
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 169.085126602
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

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

Boc-Triazole ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1C=NC=N1

Technology Process of 1-tert-Butoxycarbonyl-1,2,4-triazole

There total 2 articles about 1-tert-Butoxycarbonyl-1,2,4-triazole 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: 78.0%

1,2,4-Triazole (288-88-0) + di-tert-butyl dicarbonate (24424-99-5) → [1,2,4]triazole-1-carboxylic acid tert-butyl ester (41864-24-8)

Guidance literature:

With 1-methylimidazolium tetrafluoroborate; at 30 - 35 ℃; for 1h;

DOI:10.1016/j.tetlet.2008.02.126

Reference yield:

→ [1,2,4]triazole-1-carboxylic acid tert-butyl ester (41864-24-8)

Guidance literature:

tert. Butanol, Carbonyldi-1,1'-triazol-1,2,4;

DOI:10.1016/S0040-4039(01)95838-1

upstream raw materials:

1,2,4-Triazole

di-tert-butyl dicarbonate

Refernces