6-PHENYLHEXANOIC ACID

Base Information

• Chemical Name: 6-PHENYLHEXANOIC ACID
• CAS No.: 5581-75-9
• Molecular Formula: C12H16O2
• Molecular Weight: 192.258
• Hs Code.: 29163900
• Mol file: 5581-75-9.mol

Synonyms:Hexanoicacid, 6-phenyl- (8CI);6-Phenylcaproic acid;6-Phenylhexanoic acid;NSC 66179;6-Phenylhexanoic Acid;

Chemical Property of 6-PHENYLHEXANOIC ACID

Chemical Property:

• Appearance/Colour: White Solid
• Vapor Pressure: 0.000144mmHg at 25°C
• Melting Point: 17-19°C
• Refractive Index: n20/D 1.51(lit.)
• Boiling Point: 319.2 °C at 760 mmHg
• PKA: 4.78±0.10(Predicted)
• Flash Point: 240.2 °C
• PSA: 37.30000
• Density: 1.051 g/cm³
• LogP: 2.87410
• Solubility.: Difficult to mix.
• Water Solubility.: 479.8mg/L(30 oC)

Purity/Quality:

98%,99%, ^*data from raw suppliers

6-Phenylhexanoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 6-Phenylhexanoic Acid (cas# 5581-75-9) is a compound useful in organic synthesis. 6-Phenylhexanoic acid was employed as a model compound to investigate the effects of chromophore orientation and molecular conformation on surface-enhanced Raman scattering based on metal nanostructures. It was also employed as a substrate to study the stoichiometry of side chain metabolism or complete mineralization of surrogate napthenic acids under methanogenic conditions.

Technology Process of 6-PHENYLHEXANOIC ACID

There total 42 articles about 6-PHENYLHEXANOIC 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: 95.0%

trans 6-phenyl-5-hexenoic acid (16424-56-9) → 6-phenylhexanic acid (5581-75-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; at 25 ℃; for 1h; under 1551.4 Torr;

DOI:10.1021/jm00172a020

Reference yield: 95.0%

6-phenyl-1-hexanol (2430-16-2) → 6-phenylhexanic acid (5581-75-9)

Guidance literature:

With palladium 10% on activated carbon; water; sodium hydrogencarbonate; at 80 ℃; for 9h; under 600.06 Torr; Reagent/catalyst; Time;

DOI:10.1002/adsc.201401123

Reference yield: 94.0%

1-Diazo-6-phenylhexan-2-one (129866-61-1) → 6-phenylhexanic acid (5581-75-9)

Guidance literature:

With lithium perchlorate; In acetonitrile; at 26.85 ℃; Electrochemical reaction;

DOI:10.1002/chem.200500696

upstream raw materials:

sodium diethylmalonate

1-Bromo-4-phenylbutane

5-benzylthiophene-2-carboxylic acid

6-phenylhexanenitrile

Downstream raw materials:

6-phenylhexanoyl chloride

N-Phenacyl-glycin

ethyl 4-(6-phenylhexylamino)benzoate

5-phenyl-n-valeric acid methyl ester

Refernces

• 1、 -. "Synthetic method of acid compound". Paragraph 0028-0032; 0049. . Retrieved 2020/08/25.
• 2、 Miura, Tomoya,Funakoshi, Yuuta,Nakahashi, Junki,Moriyama, Daisuke,Murakami, Masahiro. "Synthesis of Elongated Esters from Alkenes". supporting information. p. 15455 - 15459. Retrieved 2018/10/31.