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Cas Database

Name	Rasagiline	EINECS	N/A
CAS No.	136236-51-6	Density	1.05 g/cm³
PSA	12.03000	LogP	2.28760
Solubility	N/A	Melting Point	148 °C
Formula	C₁₂H₁₃N	Boiling Point	305.5 °C at 760 mmHg
Molecular Weight	171.242	Flash Point	146.8 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	1H-Inden-1-amine,2,3-dihydro-N-2-propynyl-, (1R)- (9CI);1H-Inden-1-amine,2,3-dihydro-N-2-propynyl-, (R)-;(R)-(+)-Rasagiline;(R)-N-2-Propynyl-1-indanamine;Azilect;	Article Data	37

Rasagiline Synthetic route

: (R-(+)-N-propargyl-1-aminoindan)L-tartarate

: 136236-51-6
rasagiline

Conditions

Conditions	Yield
With sodium hydroxide In water; toluene at 45℃; for 0.25h; pH=13 - 14;	96%
With sodium hydroxide In water; toluene at 45℃; for 0.25h; Product distribution / selectivity;	92%
With sodium hydroxide In water pH=11.98; Product distribution / selectivity;	n/a

: 1224439-21-7
(R)-tert-butyl 2,3-dihydro-1H-inden-1-yl(prop-2-ynyl)carbamate

: 136236-51-6
rasagiline

Conditions

Conditions	Yield
Stage #1: (R)-tert-butyl 2,3-dihydro-1H-inden-1-yl(prop-2-ynyl)carbamate With hydrogenchloride; water In 1,4-dioxane at 20℃; for 0.5h; Inert atmosphere; Stage #2: With sodium hydrogencarbonate In 1,4-dioxane; water Inert atmosphere;	95%

: 161735-79-1
rasagiline mesylate

: 136236-51-6
rasagiline

Conditions

Conditions	Yield
With sodium hydroxide In water at 3 - 5℃; for 1h; pH=7.5 - 11; Product distribution / selectivity;	91.6%
With sodium hydroxide In water at 3 - 5℃; pH=11;	91.6%
With sodium hydroxide In water; toluene pH=~ 14;
With sodium hydroxide In water; toluene pH=14;

: 1309125-23-2
R-(+)-N-propargyl-1-aminoindane L-(+)-mandelate

: 136236-51-6
rasagiline

Conditions

Conditions	Yield
With sodium hydroxide	90%

: 1175018-73-1
(R)-N-(2-chloroallyl)-2,3-dihydro-1H-inden-1-amine

: 136236-51-6
rasagiline

Conditions

Conditions	Yield
With sodium t-butanolate In ISOPROPYLAMIDE at 0 - 5℃; for 2.16667h; Product distribution / selectivity; Inert atmosphere;	82%

: 10277-74-4
(R)-1-Aminoindane

: 624-65-7
2-propynyl chloride

: 136236-51-6
rasagiline

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 60℃; for 16h;	79%
With potassium carbonate In acetonitrile at 60℃; for 16h;

: 6165-75-9
propargyl benzenesulfonate

: 10277-74-4
(R)-1-Aminoindane

: 136236-51-6
rasagiline

Conditions

Conditions	Yield
With sodium hydroxide In water; toluene at 30 - 50℃; Product distribution / selectivity;	74.56%

: 6165-75-9
propargyl benzenesulfonate

: (R)-2,3-dihydro-1H-inden-1-amine hydrochloride

: 136236-51-6
rasagiline

Conditions

Conditions	Yield
With sodium hydroxide In toluene at 30℃; for 29h;	65.8%
With sodium hydroxide In toluene at 30℃; for 29h;	65.8%
Stage #1: (R)-2,3-dihydro-1H-inden-1-amine hydrochloride With tetrabutylammomium bromide; sodium hydroxide In water at 15 - 20℃; for 0.25h; Stage #2: propargyl benzenesulfonate In water at 15 - 20℃; for 2.75h;
Stage #1: (R)-2,3-dihydro-1H-inden-1-amine hydrochloride With tetrabutylammomium bromide; sodium hydroxide In water at 15 - 20℃; for 0.25h; Stage #2: propargyl benzenesulfonate In water at 15 - 20℃; for 2.75h;	81.0 g

: 915797-28-3
(R)-N-indan-1-yl-4-nitro-N-prop-2-ynyl-benzenesulfonamide

: 136236-51-6
rasagiline

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene; 2-hydroxyethanethiol	64%

: 10277-74-4
(R)-1-Aminoindane

: 106-96-7
propargyl bromide

: 136236-51-6
rasagiline

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 30℃; for 12h; Reflux;	59.7%
With N-ethyl-N,N-diisopropylamine In acetonitrile at 80℃; for 0.166667h; Flow reactor;	58%
With triethylamine In tetrahydrofuran at 50℃;

Rasagiline Specification

The 1H-Inden-1-amine,2,3-dihydro-N-2-propyn-1-yl-, (1R)- is an organic compound with the formula C₁₂H₁₃N. The IUPAC name of this chemical is (1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine. With the CAS registry number 136236-51-6, it is also named as (R)-2,3-Dihydro-N-2-propynyl-1H-inden-1-amine. The product's classification codes are Central Nervous System Agents; Enzyme Inhibitors; Monoamine Oxidase Inhibitors; Neuroprotective Agents; Protective Agents.

Physical properties about 1H-Inden-1-amine,2,3-dihydro-N-2-propyn-1-yl-, (1R)- are: (1)ACD/LogP: 2.27; (2)ACD/LogD (pH 5.5): 0.31; (3)ACD/LogD (pH 7.4): 1.92; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 14.07; (6)ACD/KOC (pH 5.5): 4.48; (7)ACD/KOC (pH 7.4): 183.99; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 3.24 Å²; (12)Index of Refraction: 1.576; (13)Molar Refractivity: 53.91 cm³; (14)Molar Volume: 162.7 cm³; (15)Polarizability: 21.37×10^-24cm³; (16)Surface Tension: 43.6 dyne/cm; (17)Density: 1.05 g/cm³; (18)Flash Point: 146.8 °C; (19)Enthalpy of Vaporization: 54.6 kJ/mol; (20)Boiling Point: 305.5 °C at 760 mmHg; (21)Vapour Pressure: 0.000816 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C#CCN[C@H]2c1ccccc1CC2
(2)InChI: InChI=1/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1
(3)InChIKey: RUOKEQAAGRXIBM-GFCCVEGCBG
(4)Std. InChI: InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1
(5)Std. InChIKey: RUOKEQAAGRXIBM-GFCCVEGCSA-N

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