4-(Undecyloxy)benzoic acid

Base Information

• Chemical Name: 4-(Undecyloxy)benzoic acid
• CAS No.: 15872-44-3
• Molecular Formula: C18H28O3
• Molecular Weight: 292.419
• Hs Code.: 29189900
• DSSTox Substance ID: DTXSID20333908
• Nikkaji Number: J1.016.071E
• Wikidata: Q82099475
• Mol file: 15872-44-3.mol

Synonyms:15872-44-3;4-(Undecyloxy)benzoic acid;4-N-undecyloxybenzoic acid;4-Undecyloxybenzoic acid;4-undecoxybenzoic acid;p-Undecyloxybenzoic acid;Benzoic acid, 4-(undecyloxy)-;4-(n-Undecyloxy)benzoic acid;4-n-Undecyloxybenzoicacid;4-undecyloxy-benzoic acid;4-(Undecyloxy)benzoicacid;SCHEMBL503352;4-(Undecyloxy)benzoic acid #;DTXSID20333908;4-(Undecyloxy)benzoic acid, 98%;4-Undecyloxybenzoic Acid, >/=98%;MFCD00043772;STK004493;AKOS005375093;NCGC00329042-01;AS-59824;FT-0637290;U0072;D92773;AB01322993-02;A809963;AN-512/13263032

Chemical Property of 4-(Undecyloxy)benzoic acid

Chemical Property:

• Appearance/Colour: white to light yellow cryst. needles or powder
• Vapor Pressure: 1.05E-07mmHg at 25°C
• Melting Point: 94-138 °C(lit.)
• Refractive Index: 1.504
• Boiling Point: 417.1 °C at 760 mmHg
• Flash Point: 141.5 °C
• PSA: 46.53000
• Density: 1.004 g/cm³
• LogP: 5.29440
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 292.20384475
• Heavy Atom Count: 21
• Complexity: 257

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Undecyloxybenzoic Acid ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCOC1=CC=C(C=C1)C(=O)O

Technology Process of 4-(Undecyloxy)benzoic acid

There total 14 articles about 4-(Undecyloxy)benzoic 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: 100.0%

→ 4-(n-undecyloxy)benzoic acid (15872-44-3)

Guidance literature:

Reference yield: 99.0%

4-n-undecyloxybenzaldehyde (60951-75-9) → 4-(n-undecyloxy)benzoic acid (15872-44-3)

Guidance literature:

With sodium chlorite; sodium dihydrogenphosphate; 2-methyl-but-2-ene; In tetrahydrofuran; water; tert-butyl alcohol; at 20 ℃; for 1h;

DOI:10.1021/jm2001053

Reference yield:

4-hydroxy-benzoic acid (99-96-7) → 4-(n-undecyloxy)benzoic acid (15872-44-3)

Guidance literature:

4-hydroxy-benzoic acid; With potassium hydroxide; In ethanol; at 20 ℃; for 1h;

1-halonoundecane; With potassium iodide; In ethanol; for 24h; Reflux;

DOI:10.1016/j.molstruc.2011.06.027

upstream raw materials:

bromoundecane

sel de potassium de l'acide p-hydroxybenzoique

4-hydroxy-benzoic acid

undecyl alcohol

Downstream raw materials:

C₃₉H₄₀O₈

C₃₁H₃₆O₆

C₃₈H₄₂O₆

([nBu₂Sn(O₂CC₆H₄-4-O(CH₂)10CH₃)]2O)2

Refernces

• 1、 Veerabhadraswamy, Bhyranalyar N.,Rao, Doddamane S. Shankar,Yelamaggad, Channabasaveshwar V.. "Ferroelectric Liquid Crystals: Synthesis and Thermal Behavior of Optically Active, Three-Ring Schiff Bases and Salicylaldimines". . p. 1012 - 1023. Retrieved 2018/04/23.
• 2、 Veerabhadraswamy, Bhyranalyar N.,Rao, D. S. Shankar,Yelamaggad, Channabasaveshwar V.. "Stable ferroelectric liquid crystals derived from salicylaldimine-core". . p. 4539 - 4551. Retrieved 2015/04/14.