Diallyl pimelate

Base Information

• Chemical Name: Diallyl pimelate
• CAS No.: 91906-66-0
• Molecular Formula: C13H20O4
• Molecular Weight: 240.299
• NSC Number: 52562
• DSSTox Substance ID: DTXSID10287800
• Wikidata: Q82023957
• Mol file: 91906-66-0.mol

Synonyms:DIALLYL PIMELATE;91906-66-0;NSC52562;SCHEMBL11795597;DTXSID10287800;SQBBIIARQXLCHP-UHFFFAOYSA-N;NSC-52562

Chemical Property of Diallyl pimelate

Chemical Property:

• Vapor Pressure: 0.000814mmHg at 25°C
• Boiling Point: 305.6°Cat760mmHg
• Flash Point: 141.9°C
• Density: 1g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 240.13615911
• Heavy Atom Count: 17
• Complexity: 232

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C=CCOC(=O)CCCCCC(=O)OCC=C

Technology Process of Diallyl pimelate

There total 1 articles about Diallyl pimelate 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%

heptanedioic acid (111-16-0) + allyl alcohol (107-18-6) → pimelic acid diallyl ester (91906-66-0)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; at 120 ℃; for 18h; Dean-Stark; Inert atmosphere;

DOI:10.1002/anie.202105384

Reference yield: 90.0%

pimelic acid diallyl ester (91906-66-0) + methyl iodide (74-88-4) → 1-methyl-2-oxocyclohexanecarboxylic acid 2-propenyl ester (7770-41-4)

Guidance literature:

pimelic acid diallyl ester; With sodium hydride; In tetrahydrofuran; mineral oil; at 40 ℃; for 10h; Inert atmosphere;

methyl iodide; In tetrahydrofuran; mineral oil; at 40 ℃; for 15h; Inert atmosphere;

DOI:10.15227/orgsyn.086.0194

Reference yield: 79.0%

pimelic acid diallyl ester (91906-66-0) + benzyl bromide (100-39-0) → allyl 1-benzyl-2-oxocyclohexane-1-carboxylate (866105-65-9)

Guidance literature:

pimelic acid diallyl ester; With sodium hydride; In tetrahydrofuran; mineral oil; at 40 ℃; for 18h;

benzyl bromide; In tetrahydrofuran; mineral oil; at 40 ℃; for 3h;

DOI:10.1002/anie.201606792

upstream raw materials:

heptanedioic acid

allyl alcohol

Downstream raw materials:

allyl 2-oxocyclohexane-1-carboxylate

allyl 1-benzyl-2-oxocyclohexane-1-carboxylate

allyl 2-oxo-1-(4-(trifluoromethyl)benzyl)cyclohexanecarboxylate

allyl 1-(3-methylbut-2-enyl)-2-oxocyclohexanecarboxylate