1H-1,2,4-Triazole, 1-[3-[4-(phenylmethoxy)phenoxy]propyl]-

Base Information

• Chemical Name: 1H-1,2,4-Triazole, 1-[3-[4-(phenylmethoxy)phenoxy]propyl]-
• CAS No.: 88670-82-0
• Molecular Formula: C18H19N3O2
• Molecular Weight: 309.368
• DSSTox Substance ID: DTXSID20366953
• Wikidata: Q82152465
• ChEMBL ID: CHEMBL1534136

Synonyms:MLS000063594;SMR000075194;1-{3-[4-(benzyloxy)phenoxy]propyl}-1H-1,2,4-triazole;1H-1,2,4-Triazole, 1-[3-[4-(phenylmethoxy)phenoxy]propyl]-;88670-82-0;1-[3-(4-phenylmethoxyphenoxy)propyl]-1,2,4-triazole;CHEMBL1534136;BDBM49295;cid_2199997;DTXSID20366953;HMS2326O14;AKOS034315388;CCG-276591;1-[3-(4-benzoxyphenoxy)propyl]-1,2,4-triazole;SR-01000271186;SR-01000271186-1;Z426422368

Chemical Property of 1H-1,2,4-Triazole, 1-[3-[4-(phenylmethoxy)phenoxy]propyl]-

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 309.147726857
• Heavy Atom Count: 23
• Complexity: 315

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: C1=CC=C(C=C1)COC2=CC=C(C=C2)OCCCN3C=NC=N3

Technology Process of 1H-1,2,4-Triazole, 1-[3-[4-(phenylmethoxy)phenoxy]propyl]-

There total 1 articles about 1H-1,2,4-Triazole, 1-[3-[4-(phenylmethoxy)phenoxy]propyl]- 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:

1,2,4-Triazole (288-88-0) + 1-benzyloxy-4-(3-bromopropoxy)benzene (80199-92-4) → 1-[3-(4-Benzyloxy-phenoxy)-propyl]-1H-[1,2,4]triazole (88670-82-0)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction; 1.) DMF, 5 min, 2.) DMF, 60 deg C, 30 min;

DOI:10.1021/jm00370a012

Reference yield: 61.0%

1-[3-(4-Benzyloxy-phenoxy)-propyl]-1H-[1,2,4]triazole (88670-82-0) → 4-[3-(1H-1,2,4-triazol-1-yl)propoxy]phenol (80200-03-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; under 760 Torr; Ambient temperature;

DOI:10.1021/jm00370a012

Reference yield:

1-[3-(4-Benzyloxy-phenoxy)-propyl]-1H-[1,2,4]triazole (88670-82-0) → 1-[3-(4-Oxiranylmethoxy-phenoxy)-propyl]-1H-[1,2,4]triazole

Guidance literature:

Multi-step reaction with 2 steps

1: 61 percent / H₂ / 10percent Pd/C / ethanol / 760 Torr / Ambient temperature

2: 1.) sodium hydride / 1.) DMF, 5 min, 2.) DMF, 60 deg C, 30 min

With hydrogen; sodium hydride; palladium on activated charcoal; In ethanol;

DOI:10.1021/jm00370a012

upstream raw materials:

1,2,4-Triazole

1-benzyloxy-4-(3-bromopropoxy)benzene

Downstream raw materials:

4-[3-(1H-1,2,4-triazol-1-yl)propoxy]phenol

1-Isopropylamino-3-[4-(3-[1,2,4]triazol-1-yl-propoxy)-phenoxy]-propan-2-ol

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