N-Cyclopropyl-11-(2-hexyl-5-hydroxyphenoxy)undecanamide

Base Information

• Chemical Name: N-Cyclopropyl-11-(2-hexyl-5-hydroxyphenoxy)undecanamide
• CAS No.: 869376-90-9
• Molecular Formula: C₂₆H₄₃NO₃
• Molecular Weight: 417.632
• ChEMBL ID: CHEMBL426923
• DSSTox Substance ID: DTXSID201017200
• Pharos Ligand ID: CDQ1S352GCNS
• Mol file: 869376-90-9.mol

Synonyms:869376-90-9;CB-52;N-Cyclopropyl-11-(2-hexyl-5-hydroxyphenoxy)undecanamide;CHEMBL426923;BHJRHOCTESKVMJ-UHFFFAOYSA-N;N-Cyclopropyl-11-(2-hexyl-5-hydroxyphenoxy)-undecanamide;SCHEMBL4115441;DTXSID201017200;BDBM50176954;NS00017324;11-(2-hexyl-5-hydroxyphenoxy)undecanoic acid cyclopropylamide

Chemical Property of N-Cyclopropyl-11-(2-hexyl-5-hydroxyphenoxy)undecanamide

Chemical Property:

• Melting Point: 57.3 °C
• Boiling Point: 595.901 °C at 760 mmHg
• Flash Point: 314.19 °C
• PSA: 58.56000
• Density: 1.031 g/cm³
• LogP: 7.07420
• XLogP3: 8.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 18
• Exact Mass: 417.32429423
• Heavy Atom Count: 30
• Complexity: 438

Purity/Quality:

99% ^*data from raw suppliers

N-Cyclopropyl-11-(2-hexyl-5-hydroxyphenoxy)undecanamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC1=C(C=C(C=C1)O)OCCCCCCCCCCC(=O)NC2CC2

Technology Process of N-Cyclopropyl-11-(2-hexyl-5-hydroxyphenoxy)undecanamide

There total 5 articles about N-Cyclopropyl-11-(2-hexyl-5-hydroxyphenoxy)undecanamide 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: 90.0%

→ N-cyclopropyl-11-(2-hexyl-5-hydroxyphenoxy)undecanamide (869376-90-9)

Guidance literature:

Reference yield:

11-(2-hexyl-5-hydroxyphenoxy)undecanoic acid methyl ester (869376-51-2) → N-cyclopropyl-11-(2-hexyl-5-hydroxyphenoxy)undecanamide (869376-90-9)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH / methanol / 3 h / Heating

2: 1-hydroxybenzotriazole; 1-cyclohexyl-3-(2-morpholinoethyl)carbodiimide methyl TsOH / 24 h / 20 °C

With sodium hydroxide; N-cyclohexyl-N'-β-(4-methylmorpholinium)ethylcarbodiimide p-toluenesulfonate; benzotriazol-1-ol; In methanol;

DOI:10.1021/jm0501533

Reference yield:

11-bromo-undecanoic acid methyl ester (6287-90-7) → N-cyclopropyl-11-(2-hexyl-5-hydroxyphenoxy)undecanamide (869376-90-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: K₂CO₃; KF / acetone / 0.5 h / Heating

1.2: 50 percent / acetone / Heating

2.1: aq. NaOH / methanol / 3 h / Heating

3.1: 1-hydroxybenzotriazole; 1-cyclohexyl-3-(2-morpholinoethyl)carbodiimide methyl TsOH / 24 h / 20 °C

With potassium fluoride; sodium hydroxide; N-cyclohexyl-N'-β-(4-methylmorpholinium)ethylcarbodiimide p-toluenesulfonate; potassium carbonate; benzotriazol-1-ol; In methanol; acetone;

DOI:10.1021/jm0501533

upstream raw materials:

Cyclopropylamine

11-(2-hexyl-5-hydroxyphenoxy)undecanoic acid methyl ester

11-bromo-undecanoic acid methyl ester

4-Hexylresorcinol