7-Phenylheptanoic acid

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7-Phenylheptanoic acid Basic information
Product Name:7-Phenylheptanoic acid
Synonyms:RARECHEM AH CK 0155;Benzeneheptanoic acid;7-Phenylheptanoicacid,97%;7-Phenylheptanoic acid 95%+;7-Phenylheptanoic acid
CAS:40228-90-8
MF:C13H18O2
MW:206.28
EINECS:
Product Categories:
Mol File:40228-90-8.mol
7-Phenylheptanoic acid Structure
7-Phenylheptanoic acid Chemical Properties
Melting point 20°C
Boiling point 147-150°C 0,4mm
density 1.009
refractive index 1.5070
Fp 147-150°C/0.4mm
storage temp. Sealed in dry,Room Temperature
form solid
pka4.77±0.10(Predicted)
Water Solubility Insoluble in water.
BRN 1957081
InChI1S/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)
InChIKeyZVSXKFNTWOIGJI-UHFFFAOYSA-N
SMILESOC(=O)CCCCCCc1ccccc1
CAS DataBase Reference40228-90-8(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 Class11 - Combustible Solids
MSDS Information
ProviderLanguage
ALFA English
7-Phenylheptanoic acid Usage And Synthesis
Uses7-Phenylheptanoic acid is used in the process to make amino acid derivatives.
DefinitionChEBI: 7-phenyl heptanoic acid is a medium-chain fatty acid.
SynthesisUnder 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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