Dinonyl fumarate

Base Information

• Chemical Name: Dinonyl fumarate
• CAS No.: 2787-63-5
• Molecular Formula: C22H40 O4
• Molecular Weight: 368.557
• Hs Code.: 2917190090
• European Community (EC) Number: 220-514-0
• DSSTox Substance ID: DTXSID401304522
• Nikkaji Number: J114.836B
• Mol file: 2787-63-5.mol

Synonyms:Dinonyl fumarate;2787-63-5;EINECS 220-514-0;Fumaric acid dinonyl ester;Fumaric acid, dinonyl ester;SCHEMBL123565;SCHEMBL1530995;PQJYOOFQDXGDDS-ISLYRVAYSA-N;DTXSID401304522;1,4-Dinonyl (2E)-2-butenedioate

Chemical Property of Dinonyl fumarate

Chemical Property:

• Vapor Pressure: 3.98E-08mmHg at 25°C
• Melting Point: 25.5-26.0 °C
• Boiling Point: 445.3°Cat760mmHg
• Flash Point: 208.6°C
• PSA: 52.60000
• Density: 0.939g/cm³
• LogP: 6.13020
• XLogP3: 8.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 20
• Exact Mass: 368.29265975
• Heavy Atom Count: 26
• Complexity: 329

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCC
• Isomeric SMILES: CCCCCCCCCOC(=O)/C=C/C(=O)OCCCCCCCCC

Technology Process of Dinonyl fumarate

There total 5 articles about Dinonyl fumarate 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: 99.0%

di-n-nonyl maleate (2787-64-6) → di-n-nonyl fumarate (2787-63-5)

Guidance literature:

With C₁₆H₂₅N₃O₂S; In acetonitrile; at 80 ℃; for 16h;

DOI:10.1021/acs.joc.0c02316

Reference yield: 55.0%

(3-nonanyloxycarbonyl)acrylic acid + nonyl alcohol (143-08-8) → di-n-nonyl fumarate (2787-63-5)

Guidance literature:

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃; for 24h; under 760.051 Torr; Inert atmosphere;

DOI:10.1021/acs.joc.6b00526

Reference yield:

fumaryl dichloride (627-63-4) + nonyl alcohol (143-08-8) → di-n-nonyl fumarate (2787-63-5)

Guidance literature:

With N,N-dimethyl-aniline; In tetrahydrofuran; at 49.85 ℃;

DOI:10.1039/a904815d

upstream raw materials:

fumaryl dichloride

nonyl alcohol

di-n-nonyl maleate

Downstream raw materials:

sodium dinonyl sulfosuccinate

Refernces

• 1、 Pal, Bikash,Lin, Bo-Chao,Dela Cerna, Mark Vincent Carreon,Hsu, Chao-Ping,Lin, Chih-Hsiu. "Face-to-Face Packing of 2,3,9,10-Tetrasubstituted Pentacene Derivatives Revealed through a Solid State [4 + 4] Thermal Cycloaddition and Molecular Dynamic Simulation". . p. 6223 - 6234. Retrieved 2016/08/16.