Diheptyl Propanedioate

Base Information

• Chemical Name: Diheptyl Propanedioate
• CAS No.: 1117-18-6
• Molecular Formula: C17H32 O4
• Molecular Weight: 300.43
• European Community (EC) Number: 666-002-4
• DSSTox Substance ID: DTXSID70393138
• Nikkaji Number: J2.549.753H
• Mol file: 1117-18-6.mol

Synonyms:Diheptyl Propanedioate;diheptyl malonate;DI-N-HEPTYL MALONATE;1117-18-6;Malonic acid di-n-heptyl ester;1,3-diheptyl propanedioate;diheptyl-malonate;Malonic acid diheptyl ester;SCHEMBL3713011;DTXSID70393138;STL453651;AKOS024336557;FT-0633344

Chemical Property of Diheptyl Propanedioate

Chemical Property:

• Vapor Pressure: 9.41E-05mmHg at 25°C
• Refractive Index: 1.446
• Boiling Point: 339.1°Cat760mmHg
• PKA: 11.88±0.46(Predicted)
• Flash Point: 152°C
• PSA: 52.60000
• Density: 0.95g/cm³
• LogP: 4.40370
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 16
• Exact Mass: 300.23005950
• Heavy Atom Count: 21
• Complexity: 238

Purity/Quality:

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

DIHEPTYL MALONATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCOC(=O)CC(=O)OCCCCCCC

Technology Process of Diheptyl Propanedioate

There total 3 articles about Diheptyl Propanedioate 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: 98.3%

n-heptan1ol (111-70-6) + malonic acid (141-82-2) → diheptyl malonate (1117-18-6)

Guidance literature:

With diphenylammonium trifluoromethanesulfonate; In toluene; at 80 ℃; for 6h;

DOI:10.1007/s10870-008-9341-y

Reference yield:

n-heptan1ol (111-70-6) + diethyl malonate (105-53-3) → diheptyl malonate (1117-18-6)

Guidance literature:

With tungsten(VI) oxide; auf Siedetemperatur;

Reference yield:

carbon suboxide (504-64-3) + sodium heptanolate (38372-82-6) → diheptyl malonate (1117-18-6)

Guidance literature:

upstream raw materials:

n-heptan1ol

diethyl malonate

carbon suboxide

sodium heptanolate

Downstream raw materials:

2-oxo-7-(4-pent-4-enyloxy-benzoyloxy)-2H-chromene-3-carboxylic acid heptyl ester

Refernces

• 1、 Xia, Chun-Nian,Hu, Wei-Xiao,Zhou, Wei,Wang, Guo-Hong. "Synthesis and crystal structure of heptyl 3-(3,4-dihydroxyphenyl)-2- propenoate". . p. 583 - 586. Retrieved 2008.