1H-1,2,4-Triazole-3,5-diamine, 1-dodecyl-

Base Information

• Chemical Name: 1H-1,2,4-Triazole-3,5-diamine, 1-dodecyl-
• CAS No.: 124638-99-9
• Molecular Formula: C₁₄H₂₉N₅
• Molecular Weight: 267.418
• DSSTox Substance ID: DTXSID80456304
• Nikkaji Number: J672.679H
• Wikidata: Q82278683
• Mol file: 124638-99-9.mol

Synonyms:124638-99-9;1H-1,2,4-Triazole-3,5-diamine, 1-dodecyl-;1-dodecyl-1,2,4-triazole-3,5-diamine;1-dodecyl-1H-1,2,4-triazole-3,5-diamine;DTXSID80456304;AKOS037645921;3,5-diamino-1-dodecyl-1,2,4-triazole;AS-64831;1-Dodecyl-3,5-diamino-1H-1,2,4-triazole;D92846

Chemical Property of 1H-1,2,4-Triazole-3,5-diamine, 1-dodecyl-

Chemical Property:

• XLogP3: 4.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 267.24229595
• Heavy Atom Count: 19
• Complexity: 212

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCN1C(=NC(=N1)N)N

Technology Process of 1H-1,2,4-Triazole-3,5-diamine, 1-dodecyl-

There total 2 articles about 1H-1,2,4-Triazole-3,5-diamine, 1-dodecyl- 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: 57.0%

1-dodecylbromide (143-15-7) + guanazole (1455-77-2) → 3,5-diamino-1-dodecyl-1,2,4-triazole (124638-99-9)

Guidance literature:

guanazole; With sodium; In methanol; at 80 - 85 ℃; for 1h; Inert atmosphere;

1-dodecylbromide; In methanol; for 27h; Inert atmosphere; Reflux;

DOI:10.1039/c0jm00254b

Reference yield: 45.0%

guanazole (1455-77-2) + 1-dodecylbromide (143-15-7) → 3,5-diamino-1-dodecyl-1,2,4-triazole (124638-99-9)

Guidance literature:

With sodium methylate;

Reference yield: 7.8%

3,5-diamino-1-dodecyl-1,2,4-triazole (124638-99-9) + 3,4-di[4-(tert-butyl)phenyl]pyrroline-2,5-diimine → 1-dodecyl-hexakis(4-tert-butylphenyl)triazoleporphyrazine

Guidance literature:

In butan-1-ol; for 28h; Heating;

DOI:10.1002/poc.848

upstream raw materials:

guanazole

1-dodecylbromide

guanazole