CAS No.14611-52-0,Selegiline hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	14611-52-0
Name:	Selegiline hydrochloride
Article Data:	4

Formula:	C₁₃H₁₈ClN
Molecular Weight:	223.746
Synonyms:	Benzeneethanamine, N,a-dimethyl-N-2-propynyl-, hydrochloride, (aR)- (9CI);(-)-Deprenyl hydrochloride;Eldeprine;Eldepryl;Jumex;Movergan;Plurimen;l-Deprenyl hydrochloride;Selegiline HCl;
EINECS:	604-508-9
Density:	0.954g/cm3
Melting Point:	141-142 °C
Boiling Point:	272.5 °C at 760mmHg
Flash Point:	108.4 °C
Solubility:	water: >10 mg/mL
Appearance:	white Crystalline Solid
Safety:	22-26
PSA:	3.24000
LogP:	2.98460

Synthetic route

: 1336-21-6
ammonium hydroxide

L-methyl-anara-D-tartarate: L-methyl-anara-D-tartarate

: 106-96-7
propargyl bromide

: 14611-52-0
(R)-(-)-deprenyl hydrochloride

Conditions

Conditions	Yield
In water
In water

...Expand

L-methyl-anara-D-tartarate: L-methyl-anara-D-tartarate

: 584-08-7
potassium carbonate

: 106-96-7
propargyl bromide

: 14611-52-0
(R)-(-)-deprenyl hydrochloride

Conditions

Conditions	Yield
In water

...Expand

: 3182-95-4
L-Phenylalaninol

: 14611-52-0
(R)-(-)-deprenyl hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: sulfuric acid / toluene / 0.5 h / 20 °C 1.2: 20 h / 80 °C 2.1: ammonium hydroxide / 3 h / 30 - 35 °C 3.1: sodium bis(2-methoxyethoxy)aluminium dihydride / toluene / 5 h / 80 - 85 °C 3.2: 1 h / 25 - 30 °C 4.1: methanol / 3 h / 0 - 10 °C 4.2: 3 h / 0 - 10 °C 4.3: 0 - 10 °C / pH 4-6 5.1: hydrogenchloride / isopropyl alcohol / 2 h / 20 °C View Scheme

: 63-91-2
L-phenylalanine

: 14611-52-0
(R)-(-)-deprenyl hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1.1: sodium tetrahydroborate / 1,4-dioxane / 0.5 h / 20 °C 1.2: 20 h / 20 °C 2.1: sulfuric acid / toluene / 0.5 h / 20 °C 2.2: 20 h / 80 °C 3.1: ammonium hydroxide / 3 h / 30 - 35 °C 4.1: sodium bis(2-methoxyethoxy)aluminium dihydride / toluene / 5 h / 80 - 85 °C 4.2: 1 h / 25 - 30 °C 5.1: methanol / 3 h / 0 - 10 °C 5.2: 3 h / 0 - 10 °C 5.3: 0 - 10 °C / pH 4-6 6.1: hydrogenchloride / isopropyl alcohol / 2 h / 20 °C View Scheme

Yield

Multi-step reaction with 6 steps
1.1: sodium tetrahydroborate / 1,4-dioxane / 0.5 h / 20 °C
1.2: 20 h / 20 °C
2.1: sulfuric acid / toluene / 0.5 h / 20 °C
2.2: 20 h / 80 °C
3.1: ammonium hydroxide / 3 h / 30 - 35 °C
4.1: sodium bis(2-methoxyethoxy)aluminium dihydride / toluene / 5 h / 80 - 85 °C
4.2: 1 h / 25 - 30 °C
5.1: methanol / 3 h / 0 - 10 °C
5.2: 3 h / 0 - 10 °C
5.3: 0 - 10 °C / pH 4-6
6.1: hydrogenchloride / isopropyl alcohol / 2 h / 20 °C
View Scheme

: 73058-30-7
(2S)-2-benzylazacyclopropane

: 14611-52-0
(R)-(-)-deprenyl hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: ammonium hydroxide / 3 h / 30 - 35 °C 2.1: sodium bis(2-methoxyethoxy)aluminium dihydride / toluene / 5 h / 80 - 85 °C 2.2: 1 h / 25 - 30 °C 3.1: methanol / 3 h / 0 - 10 °C 3.2: 3 h / 0 - 10 °C 3.3: 0 - 10 °C / pH 4-6 4.1: hydrogenchloride / isopropyl alcohol / 2 h / 20 °C View Scheme

: C12H13N

: 14611-52-0
(R)-(-)-deprenyl hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: sodium bis(2-methoxyethoxy)aluminium dihydride / toluene / 5 h / 80 - 85 °C 1.2: 1 h / 25 - 30 °C 2.1: methanol / 3 h / 0 - 10 °C 2.2: 3 h / 0 - 10 °C 2.3: 0 - 10 °C / pH 4-6 3.1: hydrogenchloride / isopropyl alcohol / 2 h / 20 °C View Scheme

: 2323-36-6, 4528-51-2, 4530-70-5, 14611-51-9
SELEGILINE

: 14611-52-0
(R)-(-)-deprenyl hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride In isopropyl alcohol at 20℃; for 2h;	145 g

: 14611-52-0
(R)-(-)-deprenyl hydrochloride

: 2323-36-6, 4528-51-2, 4530-70-5, 14611-51-9
SELEGILINE

Conditions

Conditions	Yield
With sodium carbonate for 1h;	100%

: 14611-52-0
(R)-(-)-deprenyl hydrochloride

: 108-88-3
toluene

: (R)-N-methyl-N-(1-phenylpropan-2-yl)-3-(p-tolyl)prop-2-yn-1-amine

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine In tetrahydrofuran at 23℃; for 16h; Sonogashira Cross-Coupling; Schlenk technique; Inert atmosphere;	84%

: 14611-52-0
(R)-(-)-deprenyl hydrochloride

: 826-10-8
(R)-2-N-methylamino-1-phenylpropane hydrochloride

Conditions

Conditions	Yield
With phosphate buffer at 105℃; Thermodynamic data; Rate constant; Kinetics; ΔE(excit.); other reagent; other temperature;

Downstream Products

2323-36-6

Total:135 Page 1 of 4 1 2 3 4 Next>>

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Specification

Selegiline hydrochloride, with CAS number of 14611-52-0, can be called Benzeneethanamine,N,a-dimethyl-N-2-propynyl-,hydrochloride, (R)-; Benzeneethanamine, N,a-dimethyl-N-2-propynyl-, hydrochloride, (aR)- (9CI); (-)-Deprenilhydrochloride; (-)-Deprenyl hydrochloride; l-Deprenyl hydrochloride; Selegilinehydrochloride; R-Selegiline hydrochloride. Selegiline hydrochloride is a levorotatory acetylenic derivative of phenethylamine. It is commonly referred to in the clinical and pharmacological literature as l-deprenyl. It is used in newly diagnosed patients with Parkinson's disease.

Physical properties about Selegiline hydrochloride are: (1)ACD/LogP: 2.954; (2)ACD/LogD (pH 5.5): 0.95; (3)ACD/LogD (pH 7.4): 2.58; (4)ACD/BCF (pH 5.5): 1.03; (5)ACD/BCF (pH 7.4): 43.99; (6)ACD/KOC (pH 5.5): 9.62; (7)ACD/KOC (pH 7.4): 409.51; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 4; (10)Flash Point: 108.4 °C; (11)Enthalpy of Vaporization: 51.08 kJ/mol; (12)Boiling Point: 272.5 °C at 760 mmHg; (13)Vapour Pressure: 0.00606 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)InChI=1S/C13H17N.ClH/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13;/h1,5-9,12H,10-11H2,2-3H3;1H/t12-;/m1./s1;
(2)InChIKey=IYETZZCWLLUHIJ-UTONKHPSSA-N;
(3)SmilesCl.c1(C[C@H](N(CC#C)C)C)ccccc1

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	unreported	121mg/kg (121mg/kg)	Acta Physiologica Academiae Scientiarum Hungaricae. Vol. 32, Pg. 377, 1967.
rat	LD50	intravenous	81mg/kg (81mg/kg)	Acta Physiologica Academiae Scientiarum Hungaricae. Vol. 32, Pg. 377, 1967.
rat	LD50	subcutaneous	280mg/kg (280mg/kg)	Acta Physiologica Academiae Scientiarum Hungaricae. Vol. 32, Pg. 377, 1967.