2-[p-(2-Methyl-2-hydroxypropyl)phenyl]propenoic Acid

Base Information

• Chemical Name: 2-[p-(2-Methyl-2-hydroxypropyl)phenyl]propenoic Acid
• CAS No.: 75626-01-6
• Molecular Formula: C13H16 O3
• Molecular Weight: 220.268
• DSSTox Substance ID: DTXSID80504490
• Nikkaji Number: J1.090.365C
• Mol file: 75626-01-6.mol

Synonyms:75626-01-6;2-[p-(2-Methyl-2-hydroxypropyl)phenyl]propenoic Acid;2-[4-(2-hydroxy-2-methylpropyl)phenyl]prop-2-enoic acid;2-(4-(2-Hydroxy-2-methylpropyl)phenyl)acrylic acid;DTXSID80504490;AKOS022653762;FT-0671843

Chemical Property of 2-[p-(2-Methyl-2-hydroxypropyl)phenyl]propenoic Acid

Chemical Property:

• Vapor Pressure: 2.96E-06mmHg at 25°C
• Refractive Index: 1.558
• Boiling Point: 373.9°C at 760 mmHg
• Flash Point: 194.1°C
• PSA: 57.53000
• Density: 1.139g/cm³
• LogP: 2.09780
• Solubility.: Dichloromethane, Methanol
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 220.109944368
• Heavy Atom Count: 16
• Complexity: 273

Purity/Quality:

99%min ^*data from raw suppliers

2-[p-(2-Methyl-2-hydroxypropyl)phenyl]propenoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CC1=CC=C(C=C1)C(=C)C(=O)O)O
• Uses: 2-[p-(2-Methyl-2-hydroxypropyl)phenyl]propenoic Acid (cas# 75626-01-6) is a compound useful in organic synthesis.

Technology Process of 2-[p-(2-Methyl-2-hydroxypropyl)phenyl]propenoic Acid

There total 4 articles about 2-[p-(2-Methyl-2-hydroxypropyl)phenyl]propenoic 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:

ibuprofen (15687-27-1,58560-75-1) → 2-propenoic acid (75626-01-6)

Guidance literature:

Multi-step reaction with 4 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

4: 1.) potassium tert-butoxide, 2.) HCl / 1.) THF, 15 deg C, 2 h; 2.) THF, 15 deg C, 20 min

With hydrogenchloride; N-Bromosuccinimide; Perbenzoic acid; potassium tert-butylate; 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-propenoic acid (75626-01-6)

Guidance literature:

Multi-step reaction with 3 steps

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

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

3: 1.) potassium tert-butoxide, 2.) HCl / 1.) THF, 15 deg C, 2 h; 2.) THF, 15 deg C, 20 min

With hydrogenchloride; potassium tert-butylate; 3-chloro-benzenecarboperoxoic acid; lithium bromide; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jo00314a053

Reference yield:

2-(4'-<2-methyl-1-propenyl>phenyl)propanoic acid (75625-99-9,107672-15-1) → 2-propenoic acid (75626-01-6)

Guidance literature:

Multi-step reaction with 2 steps

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

2: 1.) potassium tert-butoxide, 2.) HCl / 1.) THF, 15 deg C, 2 h; 2.) THF, 15 deg C, 20 min

With hydrogenchloride; potassium tert-butylate; 3-chloro-benzenecarboperoxoic acid; In dichloromethane;

DOI:10.1021/jo00314a053

upstream raw materials:

2-propionic acid

ibuprofen

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

2-propionic acid

Downstream raw materials:

2-Hydroxyibuprofen

Refernces