1H-1,2,4-Triazole-1-ethanamine

Base Information

• Chemical Name: 1H-1,2,4-Triazole-1-ethanamine
• CAS No.: 51444-31-6
• Molecular Formula: C4H8N4
• Molecular Weight: 112.134
• Hs Code.: 2933990090
• European Community (EC) Number: 800-970-2
• DSSTox Substance ID: DTXSID00199423
• Wikidata: Q83072343
• Mol file: 51444-31-6.mol

Synonyms:51444-31-6;2-(1H-1,2,4-Triazol-1-yl)ethanamine;2-[1,2,4]Triazol-1-yl-ethylamine;1H-1,2,4-Triazole-1-ethanamine;2-(1,2,4-triazol-1-yl)ethanamine;2-(1H-1,2,4-TRIAZOL-1-YL)ETHAN-1-AMINE;BRN 0112652;1H-1,2,4-Triazole, 1-(2-aminoethyl)-;4-26-00-00039 (Beilstein Handbook Reference);EC-000.1380;SCHEMBL855088;DTXSID00199423;AMY15079;BCA44431;MFCD01678670;AKOS000142384;AB09728;2-[1,2,4]TRIAZOL-1-ylethylAMINE;BS-12827;LS-155971;CS-0005461;FT-0649495;2-(1H-[1,2,4]triazol-1-yl)-ethyl-amine;AB00999501-01;A826224;A828594;A846993;J-505335;F2158-0291;2-(1H-1,2,4-TRIAZOL-1-YL)ETHANAMINE HYDROGENCHLORIDE

Chemical Property of 1H-1,2,4-Triazole-1-ethanamine

Chemical Property:

• Vapor Pressure: 0.009mmHg at 25°C
• Refractive Index: 1.634
• Boiling Point: 266.337 °C at 760 mmHg
• PKA: 7.38±0.10(Predicted)
• Flash Point: 114.877 °C
• PSA: 56.73000
• Density: 1.318 g/cm³
• LogP: 0.73910
• XLogP3: -1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 112.074896272
• Heavy Atom Count: 8
• Complexity: 65.1

Purity/Quality:

97% ^*data from raw suppliers

2-(1H-1,2,4-triazol-1-yl)ethanamine ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NN(C=N1)CCN

Technology Process of 1H-1,2,4-Triazole-1-ethanamine

There total 1 articles about 1H-1,2,4-Triazole-1-ethanamine 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:

2-[2-(1,2,4-triazol-1-yl)ethyl]isoindoline-1,3-dione (100327-50-2) → 2-(1,2,4-triazolyl)-ethylamine (51444-31-6) + N-aminophthalamide (1875-48-5)

Guidance literature:

With hydrogenchloride; hydrazine hydrate; Multistep reaction; 1.) EtOH, reflux, 8 h, 2.) EtOH, reflux, 6 h;

DOI:10.1021/jm00154a017

Reference yield: 68.0%

2-(1,2,4-triazolyl)-ethylamine (51444-31-6) + 2-(4-(2-(4-chlorophenyl)cyclopropanecarbonyl)phenylamino)ethyl methanesulfonate → (4-(2-(1H-1,2,4-triazol-1-yl)ethylamino)phenyl)(2-(4-chlorophenyl)cyclopropyl)methanone

Guidance literature:

2-(1,2,4-triazolyl)-ethylamine; With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃;

2-(4-(2-(4-chlorophenyl)cyclopropanecarbonyl)phenylamino)ethyl methanesulfonate; In N,N-dimethyl-formamide; at 100 - 120 ℃;

DOI:10.1016/j.bmc.2010.09.071

Reference yield: 65.0%

2-(1,2,4-triazolyl)-ethylamine (51444-31-6) + 1-chloro-4-phenyl-phthalazine (10132-01-1) → (4-phenyl-phthalazin-1-yl)-(2-[1,2,4]triazol-1-yl-ethyl)-amine

Guidance literature:

at 120 ℃; for 1.5h;

DOI:10.1002/ardp.200300775

upstream raw materials:

2-[2-(1,2,4-triazol-1-yl)ethyl]isoindoline-1,3-dione