Diethyl (prop-2-en-1-yl)(propyl)propanedioate

Base Information

• Chemical Name: Diethyl (prop-2-en-1-yl)(propyl)propanedioate
• CAS No.: 59726-38-4
• Molecular Formula: C13H22O4
• Molecular Weight: 242.315
• Hs Code.: 2917190090
• DSSTox Substance ID: DTXSID80514998
• Nikkaji Number: J2.792.079I
• Wikidata: Q82375643
• Mol file: 59726-38-4.mol

Synonyms:59726-38-4;2-Propenylpropylpropanedioic Acid Diethyl Ester;diethyl 2-prop-2-enyl-2-propylpropanedioate;Diethyl (prop-2-en-1-yl)(propyl)propanedioate;Diethyl 2-allyl-2-propylmalonate;starbld0035721;DTXSID80514998;AKOS030240747;FT-0674064;1,3-DIETHYL 2-(PROP-2-EN-1-YL)-2-PROPYLPROPANEDIOATE

Chemical Property of Diethyl (prop-2-en-1-yl)(propyl)propanedioate

Chemical Property:

• PSA: 52.60000
• LogP: 2.47520
• Storage Temp.: Refrigerator
• Solubility.: Chloroform, Ethyl Acetate
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 242.15180918
• Heavy Atom Count: 17
• Complexity: 253

Purity/Quality:

97% ^*data from raw suppliers

2-PropenylpropylpropanedioicAcidDiethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CC=C)(C(=O)OCC)C(=O)OCC
• Uses: 2-Propenylpropylpropanedioic Acid Diethyl Ester (cas# 59726-38-4) is a compound useful in organic synthesis.

Technology Process of Diethyl (prop-2-en-1-yl)(propyl)propanedioate

There total 1 articles about Diethyl (prop-2-en-1-yl)(propyl)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: 80.0%

diethyl (3-benzeneselenylpropyl)(2-propen-1-yl)propanedioate (153597-87-6) → 2-propyl-2-ethoxycarbonylpenten-4-oic acid ethyl ester (59726-38-4) + diphenyl diselenide (1666-13-3)

Guidance literature:

With 1,5-dimethoxynaphthalene; ascorbic acid; In isopropyl alcohol; for 4h; Irradiation;

DOI:10.1039/c39930001636

Reference yield:

2-propyl-2-ethoxycarbonylpenten-4-oic acid ethyl ester (59726-38-4) → 2-n-propyl-4-pentenoic acid (1575-72-0)

Guidance literature:

Multistep reaction; (i) aq. KOH, (ii) (heating);

DOI:10.1248/cpb.24.538

Reference yield:

2-propyl-2-ethoxycarbonylpenten-4-oic acid ethyl ester (59726-38-4) → ethyl 2-n-propyl-4-pentenoate (96107-26-5)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium hydroxide / ethanol / 72 h / 20 °C

2: 1H-imidazole / neat (no solvent) / 0.07 h / 117 °C / Microwave irradiation

With 1H-imidazole; potassium hydroxide; In ethanol;

DOI:10.1016/j.tet.2015.09.012

upstream raw materials:

diethyl (3-benzeneselenylpropyl)(2-propen-1-yl)propanedioate

Downstream raw materials:

2-n-propyl-4-pentenoic acid

ethyl 2-n-propyl-4-pentenoate