- Hydrocinnamoyl chloride
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- $100.00 / 1KG
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2025-09-25
- CAS:645-45-4
- Min. Order: 1KG
- Purity: 99%
- Supply Ability: g-kg-tons, free sample is available
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| | Hydrocinnamoyl chloride Basic information |
| | Hydrocinnamoyl chloride Chemical Properties |
| Melting point | −7-−5 °C(lit.) | | Boiling point | 107 °C11 mm Hg(lit.) | | density | 1.135 g/mL at 25 °C(lit.) | | vapor pressure | 6.893Pa at 25℃ | | refractive index | n20/D 1.5265(lit.) | | Fp | 227 °F | | storage temp. | Inert atmosphere,2-8°C | | solubility | Chloroform (Slightly) | | form | Liquid | | color | deep greenish-yellow | | Water Solubility | Soluble in water (reacts), and ether. | | Sensitive | Moisture Sensitive | | BRN | 742586 | | InChI | 1S/C9H9ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2 | | InChIKey | MFEILWXBDBCWKF-UHFFFAOYSA-N | | SMILES | ClC(=O)CCc1ccccc1 | | LogP | 1.73 | | CAS DataBase Reference | 645-45-4(CAS DataBase Reference) | | NIST Chemistry Reference | Benzenepropanoyl chloride(645-45-4) | | EPA Substance Registry System | Benzenepropanoyl chloride (645-45-4) |
| Hazard Codes | C | | Risk Statements | 20-34-29-14 | | Safety Statements | 26-36/37/39-45-8-30-23 | | RIDADR | UN 3265 8/PG 2 | | WGK Germany | 3 | | RTECS | MW5652395 | | F | 10-21 | | TSCA | TSCA listed | | HazardClass | 8 | | PackingGroup | II | | HS Code | 29163900 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 3 Inhalation
Aquatic Chronic 3
Skin Irrit. 2 |
| | Hydrocinnamoyl chloride Usage And Synthesis |
| Chemical Properties | clear colorless to light yellow liquid | | Uses | Hydrocinnamoyl chloride is a derivative of phenylpropionic acid used in the preparation of a wide range of pharmaceutical compounds such as antivirals and antitumor agents. | | Uses | 3-Phenylpropionyl Chloride is a derivative of phenylpropionic acid used in the preparation of a wide range of pharmaceutical compounds such as antivirals and antitumor agents. | | Uses | Hydrocinnamoyl chloride has been used in:
- enantioselective synthesis of the antifouling agent, (+)-maculalactone A
- synthesis of hydrocinnamoyl-farnesyl-L-cysteine methyl ester
| | General Description | Reduction of hydrocinnamoyl chloride at mercury cathodes in acetonitrile containing tetraalkylammonium perchlorates has been investigated by cyclic voltammetry. | | Flammability and Explosibility | Not classified | | Synthesis | General procedure for the synthesis of hydrocinnamoyl chloride from hydrogenated cinnamic acid: To a 200 mL flask equipped with a stir bar and an argon inlet septum were added hydrogenated cinnamic acid (5.00 g, 33.3 mmol), N,N-dimethylformamide (DMF, 0.1 mL), and dichloromethane (CH2Cl2, 30 mL). Oxalyl chloride ((COCl)2, 2 M in CH2Cl2, 20.0 mL, 40.0 mmol) was slowly added to the resulting solution over 30 min. The reaction mixture was stirred at room temperature overnight. Upon completion of the reaction, the solvent was removed by vacuum concentration to afford 3-phenylpropionyl chloride (74, 5.9 g, yellow oil) in 100% yield. The purity of the product was confirmed to be 99% by high performance liquid chromatography (HPLC) analysis (mobile phase ratio: water:acetonitrile:methanol = 15:10:75) with a retention time of 5.3 min. | | References | [1] Bioorganic and Medicinal Chemistry Letters, 2007, vol. 17, # 10, p. 2899 - 2903
[2] Patent: WO2013/101911, 2013, A2. Location in patent: Page/Page column 57
[3] Arkivoc, 2018, vol. 2018, # 5, p. 334 - 347
[4] Advanced Synthesis and Catalysis, 2015, vol. 357, # 18, p. 3825 - 3830
[5] Journal of the American Chemical Society, 1980, vol. 102, # 20, p. 6311 - 6314 |
| | Hydrocinnamoyl chloride Preparation Products And Raw materials |
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