2-(2-Formylphenoxy)hexanoic acid

Base Information

• Chemical Name: 2-(2-Formylphenoxy)hexanoic acid
• CAS No.: 138320-27-1
• Molecular Formula: C13H16O4
• Molecular Weight: 236.268
• UNII: D2XJK7K3JS
• DSSTox Substance ID: DTXSID20591561
• Mol file: 138320-27-1.mol

Synonyms:2-(2-Formylphenoxy)hexanoic acid;138320-27-1;Hexanoic acid, 2-(2-formylphenoxy)-;2-(2-Formylphenoxy)hexanoicacid;D2XJK7K3JS;SCHEMBL6235795;DTXSID20591561;CS-M2699;MFCD28347596;AKOS030603226;CS-13647;DB-250568

Chemical Property of 2-(2-Formylphenoxy)hexanoic acid

Chemical Property:

• Boiling Point: 394.6±17.0 °C(Predicted)
• PKA: 3.09±0.10(Predicted)
• PSA: 63.60000
• Density: 1.165±0.06 g/cm3(Predicted)
• LogP: 2.52130
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 236.10485899
• Heavy Atom Count: 17
• Complexity: 252

Purity/Quality:

99% ^*data from raw suppliers

2-(2-Formylphenoxy)hexanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC(C(=O)O)OC1=CC=CC=C1C=O

Technology Process of 2-(2-Formylphenoxy)hexanoic acid

There total 5 articles about 2-(2-Formylphenoxy)hexanoic 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: 96.4%

methyl 2-(2-formylphenoxy)hexanoate (138320-26-0) → 2-(2-formyl-phenoxy)-hexanoic acid (138320-27-1)

Guidance literature:

With sodium hydroxide; In water; at 20 - 30 ℃; Solvent; Reagent/catalyst; Large scale;

Reference yield:

C16H24O5 → 2-(2-formyl-phenoxy)-hexanoic acid (138320-27-1)

Guidance literature:

With sodium hydroxide; In water; toluene; at 35 - 40 ℃; for 4h;

Reference yield:

methyl 2-bromohexanoate (5445-19-2) → 2-(2-formyl-phenoxy)-hexanoic acid (138320-27-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 85 percent / K₂CO₃ / dimethylformamide / 4 h / Heating

2: 84 percent / aq. KOH / 2 h / Heating

With potassium hydroxide; potassium carbonate; In N,N-dimethyl-formamide;

upstream raw materials:

methyl 2-(2-formylphenoxy)hexanoate

methyl 2-bromohexanoate

salicylaldehyde

Downstream raw materials:

2-n-butylbenzo[b]furan

2-(o-carboxyphenoxy)hexanoic acid

2-(2-formyl-4-nitrophenoxy)hexanoic acid

amiodarone hydrochloride

Refernces

• 1、 -. "Amiodarone hydrochloride preparation method". . . Retrieved 2018/03/13.
• 2、 Kwiecien, Halina,Baumann. "Benzofuran Systems. Synthesis and Biological Examination of 1-(3-Benzofuranyl)-2-phenylethanones". . p. 1587 - 1590. Retrieved 2007/10/03.