3-Phenylpropionyl chloride, 98%, Thermo Scientific Chemicals

Product Code	Brand	Quantity
11449842	Thermo Scientific Alfa Aesar A10860.09	10 g
11459842	Thermo Scientific Alfa Aesar A10860.18	50 g
11469842	Thermo Scientific Alfa Aesar A10860.30	250 g

Description

The 3-phenylpropionate (dihydrocinnamoyl) ester has been used as a protecting group in nucleoside synthesis. Used in the synthesis of 1-Phenyl-3-methyl-4-acyl-5- pyrazolones. N-(3-phenyl-n-propyl)-1-phenyl-2-aminopropane were prepared by acylation of the appropriate amine with 3-phenylpropionyl chloride followed by reduction of the resulting amide with either LiA1H4. For the preparation of the phenylacetyl (PA) and 3-phenylpropionyl (PP) derivatives, the corresponding amino acids were coupled in the usual manner with phenylacetyl chloride or 3-phenylpropionyl chloride in the presence of either NaOH(PA-LD- and DL-Pgly. 3-Phenylpropionyl chloride (4) was treated with diazomethane to give diazoketone. Allyloxy resin 12 was acylated with 3-phenylpropionyl chloride and treated with 50% TFA for 1 h followed by treatment with Pd(PPh3)4/PPh3 in solution to furnish the desired hydrox- amic acid.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
The 3-phenylpropionate (dihydrocinnamoyl) ester has been used as a protecting group in nucleoside synthesis. Used in the synthesis of 1-Phenyl-3-methyl-4-acyl-5- pyrazolones. N-(3-phenyl-n-propyl)-1-phenyl-2-aminopropane were prepared by acylation of the appropriate amine with 3-phenylpropionyl chloride followed by reduction of the resulting amide with either LiA1H4. For the preparation of the phenylacetyl (PA) and 3-phenylpropionyl (PP) derivatives, the corresponding amino acids were coupled in the usual manner with phenylacetyl chloride or 3-phenylpropionyl chloride in the presence of either NaOH(PA-LD- and DL-Pgly. 3-Phenylpropionyl chloride (4) was treated with diazomethane to give diazoketone. Allyloxy resin 12 was acylated with 3-phenylpropionyl chloride and treated with 50% TFA for 1 h followed by treatment with Pd(PPh3)4/PPh3 in solution to furnish the desired hydrox- amic acid.

Notes
Moisture Sensitive. Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Store away from strong oxidizing agents, amines, alcohols, active metals, bases, water, moisture.

Chemical Identifiers

• CAS: 645-45-4
• Molecular Weight (g/mol): 168.62
• InChI Key: MFEILWXBDBCWKF-UHFFFAOYSA-N
• PubChem CID: 64801
• SMILES: C1=CC=C(C=C1)CCC(=O)Cl

• Molecular Formula: C9H9ClO
• MDL Number: MFCD00000748
• Synonym: 3-phenylpropionyl chloride, hydrocinnamoyl chloride, benzenepropanoyl chloride, dihydrocinnamoyl chloride, hydrocinnamyl chloride, propionyl chloride, 3-phenyl, hydrocinnamoylchloride, beta-phenylpropionyl chloride, 3-phenylpropionic acid chloride, beta-phenylpropanoyl chloride
• IUPAC Name: 3-phenylpropanoyl chloride

Specifications

• CAS: 645-45-4
• Density: 1.135
• Flash Point: 108°C (226°F)
• Molecular Formula: C9H9ClO
• MDL Number: MFCD00000748
• Beilstein: 742586
• Synonym: 3-phenylpropionyl chloride, hydrocinnamoyl chloride, benzenepropanoyl chloride, dihydrocinnamoyl chloride, hydrocinnamyl chloride, propionyl chloride, 3-phenyl, hydrocinnamoylchloride, beta-phenylpropionyl chloride, 3-phenylpropionic acid chloride, beta-phenylpropanoyl chloride
• InChI Key: MFEILWXBDBCWKF-UHFFFAOYSA-N
• IUPAC Name: 3-phenylpropanoyl chloride
• PubChem CID: 64801
• Percent Purity: 98%

• Melting Point: -7°C
• Boiling Point: 225°C
• Odor: Acrid
• Refractive Index: 1.5265
• UN Number: UN3265
• Sensitivity: Moisture sensitive
• Solubility Information: Soluble in water (reacts),and ether.
• SMILES: C1=CC=C(C=C1)CCC(=O)Cl
• Molecular Weight (g/mol): 168.62
• Formula Weight: 168.62
• Chemical Name or Material: 3-Phenylpropionyl chloride

Safety and Handling

GHS H Statement
H314-H318-H332
Causes severe skin burns and eye damage.
Causes serious eye damage.
Harmful if inhaled.

P260-P264b-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P501c

H314-H331-H335

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missing translation for 'tsca' : Yes

Recommended Storage : Ambient temperatures

RUO – Research Use Only