Diethyl 2-(1-phenylpropyl)malonate

Base Information

• Chemical Name: Diethyl 2-(1-phenylpropyl)malonate
• CAS No.: 37556-02-8
• Molecular Formula: C₁₆H₂₂O₄
• Molecular Weight: 278.348
• Hs Code.: 2917399090
• NSC Number: 197077
• DSSTox Substance ID: DTXSID60307946
• Nikkaji Number: J1.196.673J
• Mol file: 37556-02-8.mol

Synonyms:DIETHYL 2-(1-PHENYLPROPYL)MALONATE;37556-02-8;diethyl 2-(1-phenylpropyl)propanedioate;NSC197077;diethyl2-(1-phenylpropyl)propanedioate;2-(1-PHENYL-PROPYL)-MALONIC ACID DIETHYL ESTER;SCHEMBL7374272;DTXSID60307946;AKOS015998820;NSC-197077;DIETHYL2-(1-PHENYLPROPYL)MALONATE;ethyl 2-ethoxycarbonyl-3-phenylpentanoate;CS-0199750;A18703

Chemical Property of Diethyl 2-(1-phenylpropyl)malonate

Chemical Property:

• Vapor Pressure: 5.31E-05mmHg at 25°C
• Refractive Index: 1.493
• Boiling Point: 347.6 °C at 760 mmHg
• Flash Point: 163.5 °C
• PSA: 52.60000
• Density: 1.06 g/cm³
• LogP: 2.92260
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 278.15180918
• Heavy Atom Count: 20
• Complexity: 290

Purity/Quality:

99% ^*data from raw suppliers

Diethyl2-(1-phenylpropyl)malonate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C1=CC=CC=C1)C(C(=O)OCC)C(=O)OCC

Technology Process of Diethyl 2-(1-phenylpropyl)malonate

There total 17 articles about Diethyl 2-(1-phenylpropyl)malonate 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%

diethylaluminium chloride (96-10-6) + diethyl benzalmalonate (5292-53-5) → diethyl 2-(1-phenylpropyl)malonate (37556-02-8,88383-12-4,88383-13-5)

Guidance literature:

In hexane; toluene; at -40 ℃; for 21h;

DOI:10.1055/s-1999-3589

Reference yield: 88.0%

→ diethyl 2-(1-phenylpropyl)malonate (37556-02-8,88383-12-4,88383-13-5)

Guidance literature:

With bis(1,5-cyclooctadiene)diiridium(I) dichloride; potassium tert-butylate; C₈₀H₁₀₅N₂P; hydrogen; In ethanol; at 20 ℃; for 36h; under 7600.51 - 60804.1 Torr; Schlenk technique; Glovebox; Sealed tube; Inert atmosphere; Autoclave;

Reference yield: 81.0%

1-bromopropylbenzene (2114-36-5,101308-38-7) + diethyl malonate (105-53-3) → diethyl 2-(1-phenylpropyl)malonate (37556-02-8,88383-12-4,88383-13-5)

Guidance literature:

With sodium ethanolate; In ethanol; 1.) 10 min, 2.) reflux, 12 h;

upstream raw materials:

sodium diethylmalonate

(1-Chloro-propyl)-benzene

ethylmagnesium bromide

diethyl benzalmalonate

Downstream raw materials:

ethyl 3-ethyl-3-phenylpropionate

3-phenylpentanoyl chloride

2-Diazo-5-phenylheptan-3-one

3-phenoxybenzyl 3-ethyl-3-phenylpropionate

Refernces

• 1、 -. "Preparation method and application of chiral spiro aminophosphine ligand with substituent at 3-position of pyridine ring". Paragraph 0057-0060; 0063. . Retrieved 2020/02/14.
• 2、 Maas, Steffen,Stamm, Armin,Kunz, Horst. "Conjugate addition of dialkylaluminum chlorides to alkylidenemalonic acid derivatives". . p. 1792 - 1798. Retrieved 2007/10/03.