Acetamide, N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-(3-pentadecylphenoxy)-

Base Information

• Chemical Name: Acetamide, N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-(3-pentadecylphenoxy)-
• CAS No.: 117554-50-4
• Molecular Formula: C29H46 N2 O2
• Molecular Weight: 454.6877
• DSSTox Substance ID: DTXSID30151817
• Wikidata: Q83018363
• Mol file: 117554-50-4.mol

Synonyms:BRN 5153511;Acetamide, N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-(3-pentadecylphenoxy)-;1-(3-Pentadecylphenoxyacetamido)-2,5-dimethylpyrrole;N-(2,5-Dimethyl-1H-pyrrol-1-yl)-2-(3-pentadecylphenoxy)acetamide;117554-50-4;DTXSID30151817;C29H46N2O2;C29-H46-N2-O2;LS-9413

Chemical Property of Acetamide, N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-(3-pentadecylphenoxy)-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 0.99g/cm³
• XLogP3: 10.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 18
• Exact Mass: 454.35592871
• Heavy Atom Count: 33
• Complexity: 488

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC1=CC(=CC=C1)OCC(=O)NN2C(=CC=C2C)C

Technology Process of Acetamide, N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-(3-pentadecylphenoxy)-

There total 2 articles about Acetamide, N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-(3-pentadecylphenoxy)- 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: 95.0%

3-Pentadecylphenoxyacetic acid hydrazid (117554-43-5) + acetylacetone (123-54-6,81235-32-7) → 1-(3'-Pentadecylphenoxyacetamido)-2,5-dimethylpyrrole (117554-50-4)

Guidance literature:

With acetic acid; In ethanol; for 3h; Heating;

Reference yield:

Methyl 3-pentadecylphenoxyacetate (117554-54-8) → 1-(3'-Pentadecylphenoxyacetamido)-2,5-dimethylpyrrole (117554-50-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 96 percent / NH₂NH₂*H₂O / ethanol / 5 h / Heating

2: 95 percent / acetic acid / ethanol / 3 h / Heating

With hydrazine hydrate; acetic acid; In ethanol;

upstream raw materials:

3-Pentadecylphenoxyacetic acid hydrazid

acetylacetone

Methyl 3-pentadecylphenoxyacetate