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CAS No.: | 645-45-4 |
---|---|
Name: | Hydrocinnamoyl chloride |
Article Data: | 26 |
Molecular Structure: | |
Formula: | C9H9ClO |
Molecular Weight: | 168.623 |
Synonyms: | Hydrocinnamoylchloride (6CI,7CI,8CI);3-Phenylpropanoic acid chloride;3-Phenylpropanoylchloride;3-Phenylpropionic acid chloride;3-Phenylpropionyl chloride;Dihydrocinnamoyl chloride;NSC 2854;b-Phenylpropanoyl chloride;b-Phenylpropionyl chloride; |
EINECS: | 211-443-6 |
Density: | 1.145 g/cm3 |
Melting Point: | -7--5 °C |
Boiling Point: | 232 °C at 760 mmHg |
Flash Point: | 108.3 °C |
Solubility: | Soluble in water (reacts), and ether. |
Appearance: | clear colorless to light yellow liquid |
Hazard Symbols: | |
Risk Codes: | 20-34-29-14 |
Safety: | 26-36/37/39-45-8-30-23 |
Transport Information: | UN 3265 8/PG 2 |
PSA: | 17.07000 |
LogP: | 2.38460 |
Conditions | Yield |
---|---|
With thionyl chloride; N,N-dimethyl-formamide In dichloromethane at 23℃; | 100% |
With oxalyl dichloride In dichloromethane at 20℃; | 100% |
With oxalyl dichloride In dichloromethane for 24h; Inert atmosphere; | 100% |
tert-butyl 3-phenylpropanoate
hydrocinnamic acid chloride
Conditions | Yield |
---|---|
With phosphorus trichloride In acetonitrile at 80℃; for 3h; Schlenk technique; | 57% |
With thionyl chloride; water at 20℃; for 0.5h; Reagent/catalyst; Sealed tube; |
4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl-amine
B
hydrocinnamic acid chloride
Conditions | Yield |
---|---|
A 3% B n/a |
Dichloromethyl methyl ether
3-Phenylpropionic acid
A
Methyl formate
B
hydrocinnamic acid chloride
Conditions | Yield |
---|---|
With zinc(II) chloride at 100℃; |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: potassium / toluene / 4 h / Heating 1.2: 51 percent / toluene; benzene / 16 h / Heating 2.1: thionyl chloride / toluene / 2 h / 70 - 75 °C View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 80 percent / H2 / 5percent Pd-C / ethyl acetate / 10 h 2: thionyl chloride / CHCl3 / Ambient temperature View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 83 percent / H2 / platinum / ethanol 2: thionyl chloride / benzene View Scheme | |
Multi-step reaction with 2 steps 1: 5% Pd(OH)2/C; hydrogen / ethyl acetate / 22 h / 20 °C / 5171.62 Torr 2: oxalyl dichloride / dichloromethane; N,N-dimethyl-formamide / 1 h / 0 - 20 °C View Scheme |
2-methylpropyl 3-phenypropionate
hydrocinnamic acid chloride
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: 3 N aq. NaOH / ethanol / 12 h / Ambient temperature 2: dicyclohexylcarbodiimide / CH2Cl2 3: 1.) hexamethyldisilazane, 1.6 M n-BuLi, 2.) CS2, 3.) PhSeO2H / 1.) THF, hexane, -20 deg C, 30 min, 2.) THF, rt, 3.) THF, rt, 5 h 4: oxalyl chloride, DMF / benzene / Ambient temperature View Scheme | |
Multi-step reaction with 2 steps 1: 3 N aq. NaOH / ethanol / 12 h / Ambient temperature 2: oxalyl chloride, DMF / benzene / Ambient temperature View Scheme |
3-phenyl-N-(pyridin-3-yl)propanamide
hydrocinnamic acid chloride
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 1.) hexamethyldisilazane, 1.6 M n-BuLi, 2.) CS2, 3.) PhSeO2H / 1.) THF, hexane, -20 deg C, 30 min, 2.) THF, rt, 3.) THF, rt, 5 h 2: oxalyl chloride, DMF / benzene / Ambient temperature View Scheme |
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Molecular Structure:
Molecular Formula: C9H9ClO
Molecular Weight: 168.6202
IUPAC Name: 3-Phenylpropanoyl chloride
Synonyms of Hydrocinnamoyl chloride (CAS NO.645-45-4): 3-Phenylpropanoyl chloride ; 3-Phenylpropionyl chloride ; 4-09-00-01762 (Beilstein Handbook Reference) ; AI3-18968 ; BRN 0742586 ; Benzenepropanoyl chloride ; CCRIS 8627 ; Dihydrocinnamoyl chloride ; EINECS 211-443-6 ; Hydrocinnamyl chloride ; NSC 2854 ; Propionyl chloride, 3-phenyl- ; beta-Phenylpropanoyl chloride ; beta-Phenylpropionyl chloride
CAS NO: 645-45-4
Classification Code: Drug / Therapeutic Agent
Melting point: −7-−5 °C
Index of Refraction: 1.527
Molar Refractivity: 45.31 cm3
Molar Volume: 147.2 cm3
Surface Tension: 38.6 dyne/cm
Density: 1.145 g/cm3
Flash Point: 108.3 °C
Enthalpy of Vaporization: 46.86 kJ/mol
Boiling Point: 232 °C at 760 mmHg
Vapour Pressure: 0.0606 mmHg at 25°C
Hydrocinnamoyl chloride (CAS NO.645-45-4) is used in the fields of medicine and organic synthesis.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD | intraperitoneal | > 500mg/kg (500mg/kg) | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 221, 1954. | |
rat | LC50 | inhalation | 2750mg/m3/4H (2750mg/m3) | SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Toxicologist. Vol. 42, Pg. 254, 1998. |
Safety Information of Hydrocinnamoyl chloride (CAS NO.645-45-4):
Hazard Codes: C
Risk Statements: 20-34-29-14
20: Harmful by inhalation
34: Causes burns
29: Contact with water liberates toxic gas
14: Reacts violently with water
Safety Statements: 26-36/37/39-45-8-30-23
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
8: Keep container dry
30: Never add water to this product
23: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
RIDADR: UN 3265 8/PG 2
WGK Germany: 3
RTECS: MW5652395
F: 10-21
HazardClass: 8
PackingGroup: II
HS Code: 29163900