2,5-Diisopropyl methyl cinnamate

Base Information

• Chemical Name: 2,5-Diisopropyl methyl cinnamate
• CAS No.: 63600-28-2
• Molecular Formula: C16H22O2
• Molecular Weight: 246.349
• UNII: 9K45018IRK
• Nikkaji Number: J41.175B
• Wikidata: Q27272657

Synonyms:2,5-diisopropyl methyl cinnamate;Diisopropyl methyl cinnamate, 2,5-;UNII-9K45018IRK;9K45018IRK;63600-28-2;2-Propenoic acid, 3-(2,5-bis(1-methylethyl)phenyl)-, methyl ester;Q27272657

Chemical Property of 2,5-Diisopropyl methyl cinnamate

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 246.161979940
• Heavy Atom Count: 18
• Complexity: 292

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C1=CC(=C(C=C1)C(C)C)C=CC(=O)OC
• Isomeric SMILES: CC(C)C1=CC(=C(C=C1)C(C)C)/C=C/C(=O)OC

Technology Process of 2,5-Diisopropyl methyl cinnamate

There total 2 articles about 2,5-Diisopropyl methyl cinnamate 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:

1,4-bis(1-methylethyl)benzene (100-18-5) → 2,5-diisopropylcinnamic acid methyl ester (63600-28-2)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) Br₂, Fe, CCl₄, (ii) NaOEt

2: PPh₃, Et₃N / Pd(OAc)2

With triethylamine; triphenylphosphine; palladium diacetate;

DOI:10.1021/jo00444a023

Reference yield:

2-bromo-1,4-diisopropylbenzene (42196-29-2) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → 2,5-diisopropylcinnamic acid methyl ester (63600-28-2)

Guidance literature:

With triethylamine; triphenylphosphine; palladium diacetate;

DOI:10.1021/jo00444a023

upstream raw materials:

2-bromo-1,4-diisopropylbenzene

acrylic acid methyl ester

1,4-bis(1-methylethyl)benzene

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