4-Nitrophenyl myristate

Base Information

• Chemical Name: 4-Nitrophenyl myristate
• CAS No.: 14617-85-7
• Molecular Formula: C20H31 N O4
• Molecular Weight: 349.47
• Hs Code.: 2915900090
• European Community (EC) Number: 238-653-0
• NSC Number: 122044
• DSSTox Substance ID: DTXSID2074530
• Nikkaji Number: J241.328K
• Wikidata: Q82002846
• Mol file: 14617-85-7.mol

Synonyms:4-Nitrophenyl myristate;14617-85-7;4-Nitrophenyl tetradecanoate;Tetradecanoic acid, 4-nitrophenyl ester;p-Nitrophenyl myristate;(4-nitrophenyl) tetradecanoate;C20H31NO4;EINECS 238-653-0;NSC122044;4-Nitrophenyltetradecanoate;SCHEMBL231763;DTXSID2074530;ZINCHEXAFLUOROSILICATEHYDRATE;MFCD00047731;AKOS015890830;NSC 122044;NSC-122044;AS-47807;CS-0142175;FT-0619264;4-Nitrophenyl myristate, >=95.0% (HPLC);F16208;N-4560

Chemical Property of 4-Nitrophenyl myristate

Chemical Property:

• Vapor Pressure: 1.37E-08mmHg at 25°C
• Melting Point: 55 °C
• Boiling Point: 458.5°Cat760mmHg
• Flash Point: 157.9°C
• PSA: 72.12000
• Density: 1.037g/cm³
• LogP: 6.72450
• Storage Temp.: −20°C
• XLogP3: 7.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 14
• Exact Mass: 349.22530847
• Heavy Atom Count: 25
• Complexity: 359

Purity/Quality:

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

4-Nitrophenyl myristate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 38
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
• Uses: 4-Nitrophenyl Myristate is a long-chain fatty acid ester that is a substrate for lipase. suitable as substrate for lipase

Technology Process of 4-Nitrophenyl myristate

There total 3 articles about 4-Nitrophenyl myristate 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) + tetradecanoyl chloride (112-64-1) → p-nitrophenyl myristate (14617-85-7)

Guidance literature:

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

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

Reference yield: 88.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + n-tetradecanoic acid (544-63-8) → p-nitrophenyl myristate (14617-85-7)

Guidance literature:

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

DOI:10.1007/BF00958844

Reference yield:

n-tetradecanoic acid (544-63-8) + 4-Nitrophenyl chloroformate (7693-46-1) → p-nitrophenyl myristate (14617-85-7)

Guidance literature:

n-tetradecanoic 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

tetradecanoyl chloride

n-tetradecanoic acid

4-Nitrophenyl chloroformate

Downstream raw materials:

sodium myristoate

4-nitrophenol sodium salt

1-tridecene

n-tetradecanoic acid

Refernces

• 1、 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.
• 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.