2-[p-(2-Methyl-1,2-epoxypropyl)phenyl]propionic Acid

Base Information

• Chemical Name: 2-[p-(2-Methyl-1,2-epoxypropyl)phenyl]propionic Acid
• CAS No.: 75626-00-5
• Molecular Formula: C13H16 O3
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID70504489
• Mol file: 75626-00-5.mol

Synonyms:75626-00-5;2-[p-(2-Methyl-1,2-epoxypropyl)phenyl]propionic Acid;2-[4-(3,3-Dimethyloxiran-2-yl)phenyl]propanoic acid;2-(4-(3,3-Dimethyloxiran-2-yl)phenyl)propanoic acid;starbld0006892;2-[p-(2-methyl-1,2-epoxypropyl)phenyl]Propanoic acid;DTXSID70504489;AKOS030255748;FT-0671754

Chemical Property of 2-[p-(2-Methyl-1,2-epoxypropyl)phenyl]propionic Acid

Chemical Property:

• Vapor Pressure: 1.59E-05mmHg at 25°C
• Refractive Index: 1.542
• Boiling Point: 350.8°C at 760 mmHg
• Flash Point: 131.9°C
• PSA: 49.83000
• Density: 1.149g/cm³
• LogP: 2.72460
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• Solubility.: Dichloromethane, Methanol
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 220.109944368
• Heavy Atom Count: 16
• Complexity: 277

Purity/Quality:

98%Min ^*data from raw suppliers

2-[p-(2-Methyl-1,2-epoxypropyl)phenyl]propionicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)C2C(O2)(C)C)C(=O)O
• Uses: 2-[p-(2-Methyl-1,2-epoxypropyl)phenyl]propionic Acid (cas# 75626-00-5) is a compound useful in organic synthesis.

Technology Process of 2-[p-(2-Methyl-1,2-epoxypropyl)phenyl]propionic Acid

There total 3 articles about 2-[p-(2-Methyl-1,2-epoxypropyl)phenyl]propionic Acid 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:

2-(4'-<2-methyl-1-propenyl>phenyl)propanoic acid (75625-99-9,107672-15-1) → 2-propionic acid (75626-00-5)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 35 ℃; for 2h;

DOI:10.1021/jo00314a053

Reference yield:

ibuprofen (15687-27-1,58560-75-1) → 2-propionic acid (75626-00-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 55 percent / NBS, benzoyl peroxide / CCl₄ / 6 h / Heating

2: LiBr / dimethylformamide / 5 h / 80 - 100 °C

3: m-chloroperbenzoic acid / CH₂Cl₂ / 2 h / 35 °C

With N-Bromosuccinimide; Perbenzoic acid; 3-chloro-benzenecarboperoxoic acid; lithium bromide; In tetrachloromethane; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jo00314a053

Reference yield:

2-propionic acid (75625-98-8) → 2-propionic acid (75626-00-5)

Guidance literature:

Multi-step reaction with 2 steps

1: LiBr / dimethylformamide / 5 h / 80 - 100 °C

2: m-chloroperbenzoic acid / CH₂Cl₂ / 2 h / 35 °C

With 3-chloro-benzenecarboperoxoic acid; lithium bromide; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jo00314a053

upstream raw materials:

2-(4'-<2-methyl-1-propenyl>phenyl)propanoic acid

ibuprofen

2-propionic acid

Downstream raw materials:

2-propenoic acid

2-Hydroxyibuprofen

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