4-Nitrophenyl laurate

Base Information

• Chemical Name: 4-Nitrophenyl laurate
• CAS No.: 1956-11-2
• Molecular Formula: C18H27 N O4
• Molecular Weight: 321.417
• Hs Code.: 29159000
• European Community (EC) Number: 217-796-2
• DSSTox Substance ID: DTXSID10173234
• Nikkaji Number: J199.781E
• Wikidata: Q72495538
• Mol file: 1956-11-2.mol

Synonyms:4-nitrophenyl laurate;p-nitrophenyl laurate;para-nitrophenyl laurate

Chemical Property of 4-Nitrophenyl laurate

Chemical Property:

• Vapor Pressure: 1.09E-07mmHg at 25°C
• Melting Point: ~46 °C
• Refractive Index: 1.507
• Boiling Point: 432.6°Cat760mmHg
• Flash Point: 154.9°C
• PSA: 72.12000
• Density: 1.057g/cm³
• LogP: 5.94430
• Storage Temp.: 2-8°C
• Solubility.: almost transparency in hot Methanol
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 321.19400834
• Heavy Atom Count: 23
• Complexity: 332

Purity/Quality:

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

4-Nitrophenyl laurate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
• Uses: 4-Nitrophenyl Laurate is Lauric Acid derivative displaying inhibitory activity against gram-positive and/or gram-negative organisms.

Technology Process of 4-Nitrophenyl laurate

There total 8 articles about 4-Nitrophenyl laurate 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: 92.0%

n-dodecanoyl chloride (112-16-3) + 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → p-Nitrophenyl laurate (1956-11-2)

Guidance literature:

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

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

Reference yield: 86.0%

lauric acid (143-07-7) + 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → p-Nitrophenyl laurate (1956-11-2)

Guidance literature:

With magnesium sulfate; toluene-4-sulfonic acid; In xylene; for 5h; Heating;

DOI:10.1007/BF00958844

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 1-chlorododecane (112-52-7) → p-Nitrophenyl laurate (1956-11-2)

Guidance literature:

upstream raw materials:

n-dodecanoyl chloride

4-nitro-phenol

lauric acid

dodecanoyl chloride

Downstream raw materials:

lauroylsalicylaldoxime

4-nitro-phenol

Sodium laurate

4-nitrophenol sodium salt

Refernces

• 1、 Wilk, Monika,Ostaszewski, Ryszard. "Efficient Assay for the Detection of Hydrogen Peroxide by Estimating Enzyme Promiscuous Activity in the Perhydrolysis Reaction". . p. 1464 - 1469. Retrieved 2021/02/01.
• 2、 John, Alex,Dereli, Büsra,Ortunìo, Manuel A.,Johnson, Hillis E.,Hillmyer, Marc A.,Cramer, Christopher J.,Tolman, William B.. "Selective Decarbonylation of Fatty Acid Esters to Linear α-Olefins". . p. 2956 - 2964. Retrieved 2017/08/21.