11-Phenoxyundecanoic acid

Base Information

• Chemical Name: 11-Phenoxyundecanoic acid
• CAS No.: 7170-44-7
• Molecular Formula: C17H26O3
• Molecular Weight: 278.392
• Hs Code.: 2918990090
• European Community (EC) Number: 230-520-5
• NSC Number: 408534
• DSSTox Substance ID: DTXSID70221922
• Nikkaji Number: J143.335K
• Wikidata: Q83099969
• Mol file: 7170-44-7.mol

Synonyms:11-Phenoxyundecanoic acid;7170-44-7;Undecanoic acid, 11-phenoxy-;EINECS 230-520-5;Undecanoic acid,11-phenoxy-;NSC408534;11-phenoxy undecanoic acid;11-phenoxy-undecanoic acid;SCHEMBL503552;DTXSID70221922;11-Phenoxyundecanoic acid, 97%;AKOS015893929;NSC 408534;NSC-408534;FT-0694335

Chemical Property of 11-Phenoxyundecanoic acid

Chemical Property:

• Appearance/Colour: WHITE TO ORANGE TO TAN POWDER, CRYSTALS OR CRYSTALLINE POWDER
• Vapor Pressure: 2.91E-07mmHg at 25°C
• Melting Point: 77-78 °C(lit.)
• Refractive Index: 1.5490 (estimate)
• Boiling Point: 404.3 °C at 760 mmHg
• Flash Point: 146.4 °C
• PSA: 46.53000
• Density: 1.019 g/cm³
• LogP: 4.66090
• Solubility.: chloroform: soluble25mg/mL, clear (Colorless to orange)
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 278.18819469
• Heavy Atom Count: 20
• Complexity: 234

Purity/Quality:

99% ^*data from raw suppliers

11-PHENOXYUNDECANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OCCCCCCCCCCC(=O)O
• Uses: 11-Phenoxyundecanoic Acid can be used to treat tuberculosis.

Technology Process of 11-Phenoxyundecanoic acid

There total 8 articles about 11-Phenoxyundecanoic acid 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%

11-Phenoxy-undecanoic acid ethyl ester → 11-Phenoxyundecanoic acid (7170-44-7)

Guidance literature:

With potassium hydroxide; Heating;

DOI:10.1039/cc9960001283

Reference yield: 84.0%

11-bromoundecanoic acid (2834-05-1) + phenol (108-95-2,27073-41-2) → 11-Phenoxyundecanoic acid (7170-44-7)

Guidance literature:

With sodium hydroxide; In water; at 70 ℃;

DOI:10.1021/jo980315l

Reference yield:

11-bromoundecanoic acid ethyl ester (6271-23-4) → 11-Phenoxyundecanoic acid (7170-44-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / K₂CO₃ / acetone / 30 h / Heating

2: 95 percent / 5percent aq. KOH / Heating

With potassium hydroxide; potassium carbonate; In acetone;

DOI:10.1039/cc9960001283

upstream raw materials:

(9-bromo-nonyl)-phenyl ether

diethyl malonate

11-bromoundecanoic acid

phenol

Refernces

• 1、 Bhattacharya, Santanu,De Soma,Subramanian. "Synthesis and vesicle formation from hybrid bolaphile/ amphiphile ion-pairs. Evidence of membrane property modulation by molecular design". . p. 7640 - 7651. Retrieved 2007/10/03.
• 2、 -. "Method of treating lipidemia with aryloxyalkylaminobenzoic acids and esters". . . Retrieved 2008/06/13.