4-Nitrophenyl stearate

Base Information

• Chemical Name: 4-Nitrophenyl stearate
• CAS No.: 14617-86-8
• Molecular Formula: C24H39 N O4
• Molecular Weight: 405.578
• Hs Code.: 2915709000
• European Community (EC) Number: 625-747-5
• DSSTox Substance ID: DTXSID90402716
• Nikkaji Number: J707.447F
• Wikidata: Q82206183
• Mol file: 14617-86-8.mol

Synonyms:4-Nitrophenyl stearate;14617-86-8;P-NITROPHENYL STEARATE;(4-nitrophenyl) Octadecanoate;Octadecanoic acid, 4-nitrophenyl ester;4-Nitrophenyl octadecanoate;Octadecanoic acid 4-nitrophenyl ester;MFCD00047733;SCHEMBL135634;DTXSID90402716;4-METHOXYPHENYLPHOSPHONICACID;AKOS015890833;DS-6252;HY-W099563;4-Nitrophenyl stearate, lipase substrate;CS-0152205;FT-0637114;D82051;A927875;J-008199

Chemical Property of 4-Nitrophenyl stearate

Chemical Property:

• Vapor Pressure: 1.94E-10mmHg at 25°C
• Melting Point: 68-72 °C
• Refractive Index: 1.498
• Boiling Point: 508°Cat760mmHg
• Flash Point: 163.3°C
• PSA: 72.12000
• Density: 1.006g/cm³
• LogP: 8.28490
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly, Heated, Sonicated), Dichloromethane (Slightly, Heated, Son
• XLogP3: 9.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 18
• Exact Mass: 405.28790873
• Heavy Atom Count: 29
• Complexity: 414

Purity/Quality:

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

p-NitrophenylStearate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
• Uses: p-Nitrophenyl Stearate is used in method for carrying out waste paper deinking by using bifunctional fusion enzyme Lip-EG1CD.

Technology Process of 4-Nitrophenyl stearate

There total 4 articles about 4-Nitrophenyl stearate 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-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + Stearoyl chloride (112-76-5) → 4-nitrophenyl stearate (14617-86-8)

Guidance literature:

With triethylamine; In tetrahydrofuran; for 1h; Ambient temperature;

DOI:10.1016/S0040-4039(00)81507-5

Reference yield: 85.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + stearic acid (57-11-4) → 4-nitrophenyl stearate (14617-86-8)

Guidance literature:

With magnesium sulfate; toluene-4-sulfonic acid; In xylene; for 7h; Heating;

DOI:10.1007/BF00958844

Reference yield:

4-Nitrophenyl chloroformate (7693-46-1) + stearic acid (57-11-4) → 4-nitrophenyl stearate (14617-86-8)

Guidance literature:

stearic acid; With triethylamine; In dichloromethane; for 0.166667h; Inert atmosphere;

4-Nitrophenyl chloroformate; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1021/acs.organomet.7b00411

upstream raw materials:

4-nitro-phenol

Stearoyl chloride

stearic acid

4-Nitrophenyl chloroformate

Downstream raw materials:

N-stearoyl-L-tryptophan

(2S,3R,4E)-2-(N-stearoylamino)-4-octadecene-1,3-diol

Octadecanoic acid [(R)-2-(4-methoxy-phenoxy)-1-(octadecanoylamino-methyl)-ethyl]-amide

sphingomyelin

Refernces

• 1、 Hosseini-Sarvari, Mona,Sodagar, Esmat. "Esterification of free fatty acids (Biodiesel) using nano sulfated-titania as catalyst in solvent-free conditions". . p. 229 - 238. Retrieved 2013/05/09.
• 2、 Kochetkov, K. A.,Urmambetova, Zh. S.,Belikov, V. M.,Bakasova, Z. B.. "HIGHER N-ACYL-L-AMINO ACID DERIVATIVES". . p. 2311 - 2316. Retrieved 2007/10/02.