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Cas Database |
| Name |
Ethyl (s)-2-chloro propionate |
EINECS | N/A |
| CAS No. | 74497-15-7 | Density | 1.081 g/cm3 |
| PSA | 26.30000 | LogP | 1.17680 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C5H9ClO2 | Boiling Point | 149 °C at 760 mmHg |
| Molecular Weight | 136.578 | Flash Point | 49.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Propanoicacid, 2-chloro-, ethyl ester, (S)-;(-)-Ethyl 2-chloropropionate;(S)-2-Chloropropionic acid ethyl ester;Ethyl (S)-2-chloropropionate;Ethyl L-a-chloropropionate; |
Article Data | 9 |
Ethyl (s)-2-chloro propionate Synthetic route
- 7699-00-5
(R)-Ethyl lactate
- 74497-15-7
(+)-ethyl 2-chloropropionate
| Conditions | Yield |
|---|---|
| With thionyl chloride In N,N-dimethyl-formamide for 3.5h; Ambient temperature; | 32% |
| With pyridine; thionyl chloride at 60℃; | |
| With quinoline; thionyl chloride at 60℃; |
- 97-64-3, 2676-33-7
ethyl 2-hydroxypropionate
- 74497-15-7
(+)-ethyl 2-chloropropionate
| Conditions | Yield |
|---|---|
| With pyridine; thionyl chloride |
- 114983-33-4
O-chlorosulfinyl-D-lactic acid ethyl ester
- 74497-15-7
(+)-ethyl 2-chloropropionate
| Conditions | Yield |
|---|---|
| bei der Destillation; |
| Conditions | Yield |
|---|---|
| With pyridine |
- 687-47-8
(S)-Ethyl lactate
A
- 74497-15-7
(+)-ethyl 2-chloropropionate
B
- 42411-39-2
(R)-ethyl 2-chloropropanoate
| Conditions | Yield |
|---|---|
| With thionyl chloride In N,N-dimethyl-formamide for 3h; Heating; Yield given. Yields of byproduct given. Title compound not separated from byproducts; | |
| With calcium fluoride; thionyl chloride In neat (no solvent) at 70 - 170℃; for 13h; Reagent/catalyst; Overall yield = 74 %; | A n/a B n/a |
| With calcium fluoride; thionyl chloride In neat (no solvent) at 70 - 170℃; for 17h; Overall yield = 60 %; | A n/a B n/a |
| Conditions | Yield |
|---|---|
| at 60℃; in Gegenwart von tertiaeren Basen; |
- 110-86-1
pyridine
- 7699-00-5
(R)-Ethyl lactate
- 10025-87-3, 12599-09-6, 63736-95-8
trichlorophosphate
- 74497-15-7
(+)-ethyl 2-chloropropionate
- 91-22-5
quinoline
- 7699-00-5
(R)-Ethyl lactate
- 10025-87-3, 12599-09-6, 63736-95-8
trichlorophosphate
- 74497-15-7
(+)-ethyl 2-chloropropionate
- 7699-00-5
(R)-Ethyl lactate
- 121-69-7
N,N-dimethyl-aniline
- 10025-87-3, 12599-09-6, 63736-95-8
trichlorophosphate
- 74497-15-7
(+)-ethyl 2-chloropropionate
- 74497-15-7
(+)-ethyl 2-chloropropionate
| Conditions | Yield |
|---|---|
| unter Destillieren; | |
| With pyridine; diethyl ether |
Ethyl (s)-2-chloro propionate Specification
The CAS registry number of Ethyl (s)-2-chloro propionate is 74497-15-7. It belongs to the product category of Chiral Compounds. This chemical is also named as (S)-2-Chloropropanoic acid ethyl ester. In addition, its molecular formula is C5H9ClO2 and molecular weight is 136.58. Its systematic name is called ethyl (2S)-2-chloropropanoate.
Physical properties about Ethyl (s)-2-chloro propionate are: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Index of Refraction: 1.417; (7)Molar Refractivity: 31.79 cm3; (8)Molar Volume: 126.3 cm3; (9)Surface Tension: 28.4 dyne/cm; (10)Density: 1.081 g/cm3; (11)Flash Point: 49.5 °C; (12)Enthalpy of Vaporization: 38.59 kJ/mol; (13)Boiling Point: 149 °C at 760 mmHg; (14)Vapour Pressure: 4.11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl[C@H](C(=O)OCC)C
(2)InChI: InChI=1/C5H9ClO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3/t4-/m0/s1
(3)InChIKey: JEAVBVKAYUCPAQ-BYPYZUCNBB
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