Diethyl (4-isopropylphenethyl)malonate

Base Information

• Chemical Name: Diethyl (4-isopropylphenethyl)malonate
• CAS No.: 35338-69-3
• Molecular Formula: C₁₈H₂₆O₄
• Molecular Weight: 306.402
• DSSTox Substance ID: DTXSID701182070
• Nikkaji Number: J1.407.795B
• Mol file: 35338-69-3.mol

Synonyms:Diethyl (4-isopropylphenethyl)malonate;35338-69-3;DTXSID701182070;Diethyl 2-[2-(4-isopropylphenyl)ethyl]malonate #;1,3-Diethyl 2-[2-[4-(1-methylethyl)phenyl]ethyl]propanedioate

Chemical Property of Diethyl (4-isopropylphenethyl)malonate

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 306.18310931
• Heavy Atom Count: 22
• Complexity: 325

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C(CCC1=CC=C(C=C1)C(C)C)C(=O)OCC

Technology Process of Diethyl (4-isopropylphenethyl)malonate

There total 4 articles about Diethyl (4-isopropylphenethyl)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:

p-isopropylphenethyl bromide (35338-68-2) → (4-isopropyl-phenethyl)-malonic acid diethyl ester (35338-69-3)

Guidance literature:

With benzene;

Reference yield:

(4-isopropylphenyl)acetic acid ethyl ester (14062-21-6) → (4-isopropyl-phenethyl)-malonic acid diethyl ester (35338-69-3)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium; ethanol / 130 - 180 °C

2: PBr₃

3: benzene

With ethanol; sodium; phosphorus tribromide; benzene;

Reference yield:

2-(4-isopropylphenyl)ethanol (10099-57-7) → (4-isopropyl-phenethyl)-malonic acid diethyl ester (35338-69-3)

Guidance literature:

Multi-step reaction with 2 steps

1: PBr₃

2: benzene

With phosphorus tribromide; benzene;

upstream raw materials:

p-isopropylphenethyl bromide

(4-isopropylphenyl)acetic acid ethyl ester

2-(4-isopropylphenyl)ethanol

Downstream raw materials:

7-isopropyl-3,4-dihydro-2H-naphthalen-1-one-(2,4-dinitro-phenylhydrazone)

7-isopropyl-3,4-dihydro-2H-naphthalen-1-one