1,3,4-Oxadiazol-2-amine, 5-((4-chloro-3-pentadecylphenoxy)methyl)-

Base Information

• Chemical Name: 1,3,4-Oxadiazol-2-amine, 5-((4-chloro-3-pentadecylphenoxy)methyl)-
• CAS No.: 117554-47-9
• Molecular Formula: C₂₄H₃₈ClN₃O₂
• Molecular Weight: 436.038
• DSSTox Substance ID: DTXSID50151814
• Wikidata: Q83018360
• Mol file: 117554-47-9.mol

Synonyms:BRN 4211552;1,3,4-Oxadiazol-2-amine, 5-((4-chloro-3-pentadecylphenoxy)methyl)-;5-((4-Chloro-3-pentadecylphenoxy)methyl)-1,3,4-oxadiazol-2-amine;117554-47-9;C24H38ClN3O2;DTXSID50151814;C24-H38-Cl-N3-O2;LS-99025

Chemical Property of 1,3,4-Oxadiazol-2-amine, 5-((4-chloro-3-pentadecylphenoxy)methyl)-

Chemical Property:

• Vapor Pressure: 8.05E-13mmHg at 25°C
• Boiling Point: 565.8°C at 760 mmHg
• Flash Point: 296°C
• Density: 1.076g/cm³
• XLogP3: 9.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 17
• Exact Mass: 435.2652552
• Heavy Atom Count: 30
• Complexity: 416

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC1=C(C=CC(=C1)OCC2=NN=C(O2)N)Cl

Technology Process of 1,3,4-Oxadiazol-2-amine, 5-((4-chloro-3-pentadecylphenoxy)methyl)-

There total 2 articles about 1,3,4-Oxadiazol-2-amine, 5-((4-chloro-3-pentadecylphenoxy)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: 98.0%

bromocyane (506-68-3) + 4-Chloro-3-pentadecylphenoxyacetic acid hydrazide (117554-44-6) → 2-Amino-5-(4'-chloro-3'-pentadecylphenoxymethyl)-1,3,4-oxadiazole (117554-47-9)

Guidance literature:

In methanol; N,N-dimethyl-formamide; for 1h; Ambient temperature;

Reference yield:

Methyl 4-chloro-3-pentadecylphenoxyacetate (117554-56-0) → 2-Amino-5-(4'-chloro-3'-pentadecylphenoxymethyl)-1,3,4-oxadiazole (117554-47-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / NH₂NH₂*H₂O / ethanol / 5 h / Heating

2: 98 percent / methanol; dimethylformamide / 1 h / Ambient temperature

With hydrazine hydrate; In methanol; ethanol; N,N-dimethyl-formamide;

Reference yield: 48.0%

2-Amino-5-(4'-chloro-3'-pentadecylphenoxymethyl)-1,3,4-oxadiazole (117554-47-9) + 4-methoxy-benzaldehyde (123-11-5) → [5-(4-Chloro-3-pentadecyl-phenoxymethyl)-[1,3,4]oxadiazol-2-yl]-[1-(4-methoxy-phenyl)-meth-(E)-ylidene]-amine (132663-70-8)

Guidance literature:

at 160 - 170 ℃; for 2h;

DOI:10.1016/0223-5234(90)90150-2

upstream raw materials:

bromocyane

4-Chloro-3-pentadecylphenoxyacetic acid hydrazide

Methyl 4-chloro-3-pentadecylphenoxyacetate

Downstream raw materials:

[5-(4-Chloro-3-pentadecyl-phenoxymethyl)-[1,3,4]oxadiazol-2-yl]-[1-(4-methoxy-phenyl)-meth-(E)-ylidene]-amine