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| CAS No.: | 59587-09-6 |
|---|---|
| Name: | N-Acetyl-L-cysteine ethyl ester |
| Molecular Structure: | |
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| Formula: | C7H13NO3S |
| Molecular Weight: | 191.251 |
| Synonyms: | N-Acetyl-L-cysteineethyl ester;N-Acetylcysteine ethyl ester;L-Cysteine, N-acetyl-, ethyl ester;N-Acetylcysteine ethylester; |
| Density: | 1.138 g/cm3 |
| Melting Point: | 44.1-44.5 °C |
| Boiling Point: | 337.6 °C at 760 mmHg |
| Flash Point: | 158 °C |
| PSA: | 97.69000 |
| LogP: | 0.82430 |
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A
- 59587-09-6
(R)-2-acetylamino-3-mercapto-propionic acid ethyl ester
B
- 64-17-5
ethanol
| Conditions | Yield |
|---|---|
| With Hexanethiol; C28H41NOP2Ru; hydrogen In 1,4-dioxane at 150℃; under 15001.5 Torr; for 36h; Autoclave; chemoselective reaction; | A 98% B 80 %Spectr. |
- 64-17-5
ethanol
- 616-91-1
N-acetylcystein
- 59587-09-6
(R)-2-acetylamino-3-mercapto-propionic acid ethyl ester
| Conditions | Yield |
|---|---|
| With thionyl chloride at 0 - 20℃; for 4h; Inert atmosphere; | 47% |
| With thionyl chloride at 20℃; for 3.5h; | 47% |
| With thionyl chloride at 30℃; for 3h; Esterification; | 46% |
- 84310-90-7
(R)-2-Amino-3-(1,5-diacetoxy-3-methoxy-2-methyl-9-oxo-9H-xanthen-4-yldisulfanyl)-propionic acid ethyl ester
- 59587-09-6
(R)-2-acetylamino-3-mercapto-propionic acid ethyl ester
| Conditions | Yield |
|---|---|
| In dimethyl sulfoxide at 25℃; for 7.5h; other solvents; | 43% |
- 24037-21-6
N,N'-diacetyl-L-cystine diethyl ester
- 59587-09-6
(R)-2-acetylamino-3-mercapto-propionic acid ethyl ester
| Conditions | Yield |
|---|---|
| With hydrogenchloride; zinc |
- 118143-52-5
N-Boc-L-cysteine ethyl ester
- 59587-09-6
(R)-2-acetylamino-3-mercapto-propionic acid ethyl ester
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 2.)I2 2: 43 percent / dimethylsulfoxide / 7.5 h / 25 °C / other solvents View Scheme |
- 27486-87-9
N-acetyl-S-trityl-L-cysteine
- 59587-09-6
(R)-2-acetylamino-3-mercapto-propionic acid ethyl ester
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: potassium carbonate / N,N-dimethyl-formamide / 20 °C 2: trifluoroacetic acid; triethylsilane / dichloromethane / 0 - 20 °C View Scheme |
- 1032314-56-9
C26H27NO3S
- 59587-09-6
(R)-2-acetylamino-3-mercapto-propionic acid ethyl ester
| Conditions | Yield |
|---|---|
| With triethylsilane; trifluoroacetic acid In dichloromethane at 0 - 20℃; |
- 616-91-1
N-acetylcystein
- 59587-09-6
(R)-2-acetylamino-3-mercapto-propionic acid ethyl ester
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: N,N-dimethyl-formamide / 20 °C 2: potassium carbonate / N,N-dimethyl-formamide / 20 °C 3: trifluoroacetic acid; triethylsilane / dichloromethane / 0 - 20 °C View Scheme |
- 3411-58-3
L-cystein ethyl ester
- 108-24-7
acetic anhydride
- 59587-09-6
(R)-2-acetylamino-3-mercapto-propionic acid ethyl ester
| Conditions | Yield |
|---|---|
| In dichloromethane Inert atmosphere; |
- 59587-09-6
(R)-2-acetylamino-3-mercapto-propionic acid ethyl ester
- 39657-47-1
O-acetylsyringic acid chloride
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In dichloromethane at 5 - 20℃; for 3h; | 87% |
| With N-ethyl-N,N-diisopropylamine In dichloromethane at 5 - 20℃; for 3h; | 87% |
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Specification
The CAS registry number of L-Cysteine,N-acetyl-,ethyl ester is 59587-09-6. The IUPAC name is ethyl (2R)-2-acetamido-3-sulfanylpropanoate. In addition, the molecular formula is C7H13NO3S and the molecular weight is 191.25. It should be stored in a cool and dry place.
Physical properties about L-Cysteine,N-acetyl-,ethyl ester are: (1)ACD/LogP: 0.70 ; (2)ACD/LogD (pH 5.5): 0.7; (3)ACD/LogD (pH 7.4): 0.69; (4)ACD/BCF (pH 5.5): 2.01; (5)ACD/BCF (pH 7.4): 1.97; (6)ACD/KOC (pH 5.5): 57.35; (7)ACD/KOC (pH 7.4): 56.22; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 71.91 Å2; (12)Index of Refraction: 1.48; (13)Molar Refractivity: 47.73 cm3; (14)Molar Volume: 167.9 cm3; (15)Polarizability: 18.92 ×10-24cm3; (16)Surface Tension: 38.2 dyne/cm; (17)Density: 1.138 g/cm3; (18)Flash Point: 158 °C; (19)Enthalpy of Vaporization: 58.08 kJ/mol; (20)Boiling Point: 337.6 °C at 760 mmHg; (21)Vapour Pressure: 0.000104 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)[C@@H](NC(=O)C)CS
(2)InChI: InChI=1/C7H13NO3S/c1-3-11-7(10)6(4-12)8-5(2)9/h6,12H,3-4H2,1-2H3,(H,8,9)/t6-/m0/s1
(3)InChIKey: MSMRAGNKRYVTCX-LURJTMIEBW