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| CAS No.: | 136236-51-6 |
|---|---|
| Name: | Rasagiline |
| Molecular Structure: | |
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| Formula: | C12H13N |
| Molecular Weight: | 171.242 |
| 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; |
| Density: | 1.05 g/cm3 |
| Melting Point: | 148 °C |
| Boiling Point: | 305.5 °C at 760 mmHg |
| Flash Point: | 146.8 °C |
| PSA: | 12.03000 |
| LogP: | 2.28760 |
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- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
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- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 136236-51-6
rasagiline
| 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 | 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 | 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 | Yield |
|---|---|
| With sodium hydroxide | 90% |
- 1175018-73-1
(R)-N-(2-chloroallyl)-2,3-dihydro-1H-inden-1-amine
- 136236-51-6
rasagiline
| Conditions | Yield |
|---|---|
| With sodium t-butanolate In ISOPROPYLAMIDE at 0 - 5℃; for 2.16667h; Product distribution / selectivity; Inert atmosphere; | 82% |
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetonitrile at 60℃; for 16h; | 79% |
| With potassium carbonate In acetonitrile at 60℃; for 16h; |
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water; toluene at 30 - 50℃; Product distribution / selectivity; | 74.56% |
- 6165-75-9
propargyl benzenesulfonate
- 136236-51-6
rasagiline
| 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 | Yield |
|---|---|
| With 1,8-diazabicyclo[5.4.0]undec-7-ene; 2-hydroxyethanethiol | 64% |
| 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℃; |
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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