CAS No.34183-22-7,1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one hydrochloride Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	34183-22-7
Name:	1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one hydrochloride
Article Data:	3

Formula:	C₂₁H₂₈ClNO₃
Molecular Weight:	377.911
Synonyms:	1-Propanone,1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenyl-, hydrochloride (9CI);Propiophenone, 2'-[2-hydroxy-3-(propylamino)propoxy]-3-phenyl-, hydrochloride(8CI);Arythmol;Pronon;Rythmol;Rytmonorm;
EINECS:	251-867-9
Melting Point:	165-167 °C
Boiling Point:	519.6 °C at 760 mmHg
Flash Point:	268 °C
Appearance:	White solid
Hazard Symbols:	T, Xn
Risk Codes:	46-22
Safety:	53-36/37/39-45
PSA:	58.56000
LogP:	4.43430

Synthetic route

: 107-10-8
propylamine

: 22525-95-7
1-(2-(oxiran-2-ylmethoxy)phenyl)-3-phenylpropan-1-one

: 34183-22-7
propafenone hydrochloride

Conditions

Conditions	Yield
Stage #1: propylamine; 1-(2-(oxiran-2-ylmethoxy)phenyl)-3-phenylpropan-1-one for 4h; Reflux; Stage #2: With hydrogenchloride In water for 1h; Reflux;	85%
Stage #1: propylamine; 1-(2-(oxiran-2-ylmethoxy)phenyl)-3-phenylpropan-1-one at 20 - 50℃; for 6h; Stage #2: With hydrogenchloride for 1h; Reflux;	74.5%

: 2'-hydroxydihydrochalcone sodium

: 34183-22-7
propafenone hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: 8 h / 110 °C 2.1: 6 h / 20 - 50 °C 2.2: 1 h / Reflux View Scheme

: 1214-47-7
1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one

: 34183-22-7
propafenone hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: 2-Phenylbenzothiazolin; aluminum (III) chloride / toluene / 2 h / 110 °C 1.2: 6 h / 20 - 25 °C 2.1: 8 h / 110 °C 3.1: 6 h / 20 - 50 °C 3.2: 1 h / Reflux View Scheme
Multi-step reaction with 3 steps 1.1: tris(pentafluorophenyl)borate; triethylsilane; 1,1,1,3',3',3'-hexafluoro-propanol / 1 h / 40 °C 2.1: 4 h / Reflux 3.1: 4 h / Reflux 3.2: 1 h / Reflux View Scheme

: 1-(2-(allyloxy)phenyl)-3-phenylpropan-1-one

: 34183-22-7
propafenone hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 48 h / 20 °C 2.1: 4 h / Reflux 2.2: 1 h / Reflux View Scheme

: 3516-95-8
2'-hydroxy-3-phenylpropiophenone

: 34183-22-7
propafenone hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: 4 h / Reflux 2.1: 4 h / Reflux 2.2: 1 h / Reflux View Scheme

: 16619-51-5
2'-allyloxychalcone

: 34183-22-7
propafenone hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: tris(pentafluorophenyl)borate; triethylsilane; 1,1,1,3',3',3'-hexafluoro-propanol / 1 h / 40 °C 2.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 48 h / 20 °C 3.1: 4 h / Reflux 3.2: 1 h / Reflux View Scheme

: 34183-22-7
propafenone hydrochloride

: 18162-48-6
tert-butyldimethylsilyl chloride

: C27H41NO3Si

Conditions

Conditions	Yield
With 1H-imidazole In dichloromethane at 0 - 22℃; for 12h; Inert atmosphere;	83%

: 34183-22-7
propafenone hydrochloride

: 530-62-1
1,1'-carbonyldiimidazole

: C22H25NO4

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at 50℃; for 12h;	68%

: copper(II) choride dihydrate

: 34183-22-7
propafenone hydrochloride

: 907997-08-4
[(1-[2-[2-oxy-3-(propylamino)propoxy]phenyl]-3-phenyl-1-propanone(1-))2 (copper(II))2 (chloride)2]

Conditions

Conditions	Yield
With NaOH In methanol at room temp., methanolic soln. of hydrochloride of the ligand mixed with soln. of CuCl2*2H2O in the same solvent (ratio 1:1), dropwise additionof NaOH; pptn., crystals filtered, washed with methanol, dried over P2O5; elem. anal.;	60%

: 34183-22-7
propafenone hydrochloride

: C21H25(2)H2NO3

Conditions

Conditions	Yield
With 2,2,6,6-tetramethyl-piperidine; tris(pentafluorophenyl)borate; water-d2 In tetrahydrofuran at 100℃; for 12h; Inert atmosphere; regioselective reaction;	46%

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Specification

The Propafenone hydrochloride is an organic compound with the formula C₂₁H₂₈ClNO₃. The IUPAC name of this chemical is 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one hydrochloride. With the CAS registry number 34183-22-7, it is also named as 1-propanone, 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenyl-, hydrochloride. The product's categories are Intermediates & Fine Chemicals; Pharmaceuticals; Sodium channel. Besides, it should be stored in a closed place at temperature of 2 - 8 °C. It have been shown to increase the occurrence of arrhythmias, primarily in patients with underlying heart disease.

Physical properties about Propafenone hydrochloride are: (1)CD/LogP: 3.93; (2)ACD/LogD (pH 5.5): 0.9; (3)ACD/LogD (pH 7.4): 1.97; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 6.25; (6)ACD/KOC (pH 5.5): 3.04; (7)ACD/KOC (pH 7.4): 35.75; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 12; (11)Polar Surface Area: 38.77 Å²; (12)Flash Point: 268 °C; (13)Enthalpy of Vaporization: 83.42 kJ/mol; (14)Boiling Point: 519.6 °C at 760 mmHg; (15)Vapour Pressure: 1.27E-11 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. Besides, this chemical may cause heritable genetic damage. When you are using it, wear suitable gloves and eye/face protection and avoid exposure - obtain special instructions before use. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(c1ccccc1OCC(O)CNCCC)CCc2ccccc2
(2)InChI: InChI=1/C21H27NO3.ClH/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17;/h3-11,18,22-23H,2,12-16H2,1H3;1H
(3)InChIKey: XWIHRGFIPXWGEF-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C21H27NO3.ClH/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17;/h3-11,18,22-23H,2,12-16H2,1H3;1H
(5)Std. InChIKey: XWIHRGFIPXWGEF-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LD50	oral	60mg/kg (60mg/kg)		Cardiac Arrhythmias: Diagnosis, Prognosis, Therapy; Proceedings International Rytmonorm- Congress. Vol. 1, Pg. 103, 1983.
child	TDLo	oral	133mg/kg (133mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD CARDIAC: CHANGE IN CONDUCTION VELOCITY	Annals of Emergency Medicine. Vol. 16, Pg. 437, 1987.
dog	LD50	intravenous	10mg/kg (10mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 26, Pg. 1849, 1976.
mammal (species unspecified)	LD50	subcutaneous	200mg/kg (200mg/kg)		Ceska a Slovenska Farmacie. Vol. 47, Pg. 179, 1998.
man	LDLo	oral	4286ug/kg/15H (4.286mg/kg)	CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP	Postgraduate Medical Journal. Vol. 60, Pg. 155, 1984.
man	TDLo	oral	53571ug/kg (53.571mg/kg)	CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE GASTROINTESTINAL: OTHER CHANGES	Deutsche Medizinische Wochenschrift. Vol. 116, Pg. 1573, 1991.
man	TDLo	oral	2346mg/kg/1Y- (2346mg/kg)	PERIPHERAL NERVE AND SENSATION: SENSORY CHANGE INVOLVING PERIPHERAL NERVE	Mayo Clinic Proceedings. Vol. 70, Pg. 469, 1995.
mouse	LD50	intraperitoneal	79mg/kg (79mg/kg)		Drugs in Japan Vol. -, Pg. 1035, 1990.
mouse	LD50	intravenous	25mg/kg (25mg/kg)		Drugs in Japan Vol. -, Pg. 1035, 1990.
mouse	LD50	oral	341mg/kg (341mg/kg)		Drugs in Japan Vol. -, Pg. 1035, 1990.
mouse	LD50	subcutaneous	100mg/kg (100mg/kg)		Drugs in Japan Vol. -, Pg. 1035, 1990.
rat	LD50	intraperitoneal	59mg/kg (59mg/kg)		Drugs in Japan Vol. -, Pg. 1035, 1990.
rat	LD50	intravenous	18800ug/kg (18.8mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 26, Pg. 1849, 1976.
rat	LD50	oral	700mg/kg (700mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 26, Pg. 1849, 1976.
rat	LD50	subcutaneous	156mg/kg (156mg/kg)		Drugs in Japan Vol. -, Pg. 1035, 1990.
women	TDLo	oral	12mg/kg/1D-I (12mg/kg)	PERIPHERAL NERVE AND SENSATION: PARESTHESIS BEHAVIORAL: WAKEFULNESS BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS"	Journal of Clinical Psychiatry. Vol. 46, Pg. 104, 1985.