7-PHENYLHEPTANOIC ACID Chemical Properties

Melting point:

20°C

Boiling point:

147-150°C 0,4mm

Density 

1.009

refractive index 

1.5070

Flash point:

147-150°C/0.4mm

storage temp. 

Sealed in dry,Room Temperature

form 

solid

pka

4.77±0.10(Predicted)

Water Solubility 

Insoluble in water.

BRN 

1957081

InChI

1S/C13H18O2/c14-13(15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2,(H,14,15)

InChIKey

ZVSXKFNTWOIGJI-UHFFFAOYSA-N

SMILES

OC(=O)CCCCCCc1ccccc1

CAS DataBase Reference

40228-90-8(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/38-36

Safety Statements 

26-36

WGK Germany 

WGK 3

Hazard Note 

Irritant

HS Code 

2916399090

Storage Class

11 - Combustible Solids

MSDS

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7-PHENYLHEPTANOIC ACID Usage And Synthesis

Uses

7-Phenylheptanoic acid is used in the process to make amino acid derivatives.

Definition

ChEBI: 7-phenyl heptanoic acid is a medium-chain fatty acid.

Synthesis

Under argon protection, palladium acetate (0.025 mmol,0.0056 g), monophosphine ligand TFPP (0.15 mmol,0.0474 g), 0.5 mL of toluene, 6-phenyl-1-hexene (0.5 mmol,0.0801 g), formic acid (0.75 mmol,0.0345 g) and acetic anhydride (0.1 mmol,0.0102g). The bottle was sealed by screwing on the cap and the temperature of the heating plate was adjusted to 80 ??C. After 48 h, the heating was stopped, cooled to room temperature, and 3 mL of dichloromethane was added and transferred to a 125 mL dispensing funnel. The mother liquor was added 1M NaOH solution 30mL, washed with dichloromethane 3 times, 30mL each time. the aqueous phase was acidified with 3M hydrochloric acid 15mL, and then extracted with dichloromethane three times, 30mL each time. 0.080g of white solid 7-phenylheptanoic acid was obtained in 78% yield.

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