2-(4-Isopropylphenoxy)propanoic acid

Base Information

• Chemical Name: 2-(4-Isopropylphenoxy)propanoic acid
• CAS No.: 237412-04-3
• Molecular Formula: C₁₂H₁₆O₃
• Molecular Weight: 208.257
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID30390668
• Nikkaji Number: J1.119.910K
• Mol file: 237412-04-3.mol

Synonyms:2-(4-isopropylphenoxy)propanoic acid;237412-04-3;2-(4-propan-2-ylphenoxy)propanoic Acid;2-[4-(propan-2-yl)phenoxy]propanoic acid;MFCD03422222;Propanoic acid, 2-[4-(1-methylethyl)phenoxy]-;SCHEMBL11519440;DTXSID30390668;BBL014327;STK397800;2-(4-Isopropylphenoxy)propionic acid;AKOS000104804;AKOS016353290;VS-04275;CS-0273846;EN300-86528;2-(4-Isopropylphenoxy)propanoic acid, AldrichCPR

Chemical Property of 2-(4-Isopropylphenoxy)propanoic acid

Chemical Property:

• Vapor Pressure: 0.000109mmHg at 25°C
• Refractive Index: 1.516
• Boiling Point: 323.2°C at 760 mmHg
• PKA: 3.26±0.10(Predicted)
• Flash Point: 119.8°C
• PSA: 46.53000
• Density: 1.087g/cm³
• LogP: 2.66190
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 205

Purity/Quality:

98%min ^*data from raw suppliers

2-(4-Isopropylphenoxy)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(4-Isopropylphenoxy)propanoic acid

There total 4 articles about 2-(4-Isopropylphenoxy)propanoic 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-iso-propylphenoxy)propanoic acid (237412-04-3) + butan-1-ol (71-36-3) → (R)-2-(4-Isopropyl-phenoxy)-propionic acid butyl ester + (S)-2-(4-Isopropyl-phenoxy)-propionic acid butyl ester + (R)-2-(4-Isopropyl-phenoxy)-propionic acid (237412-04-3) + (S)-2-(4-Isopropyl-phenoxy)-propionic acid (237412-04-3)

Guidance literature:

With Candida rugosa lipase; In 2,2,4-trimethylpentane; water; at 37 ℃; Title compound not separated from byproducts;

DOI:10.1246/bcsj.76.399

Reference yield:

(+/-)-2-(4-iso-propylphenoxy)propanoic acid (237412-04-3) + butan-1-ol (71-36-3) → (R)-2-(4-Isopropyl-phenoxy)-propionic acid butyl ester + (S)-2-(4-Isopropyl-phenoxy)-propionic acid butyl ester + (R)-2-(4-Isopropyl-phenoxy)-propionic acid (237412-04-3) + (S)-2-(4-Isopropyl-phenoxy)-propionic acid (237412-04-3)

Guidance literature:

With Candida rugosa lipase; In 2,2,4-trimethylpentane; water; at 37 ℃; Title compound not separated from byproducts;

DOI:10.1246/bcsj.76.399

Reference yield:

C16H24O3 → (R)-2-(4-Isopropyl-phenoxy)-propionic acid (237412-04-3) + (S)-2-(4-Isopropyl-phenoxy)-propionic acid (237412-04-3)

Guidance literature:

With lipase MY from Candida rugosa; water; In di-isopropyl ether; at 37 ℃; for 4h; Further Variations:; Reagents; Solvents; time; Product distribution;

DOI:10.1039/b514885e

upstream raw materials:

butan-1-ol