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| CAS No.: | 73246-45-4 |
|---|---|
| Name: | (S)-(-)-Methyl 2-chloropropionate |
| Molecular Structure: | |
|
|
|
| Formula: | C4H7ClO2 |
| Molecular Weight: | 122.551 |
| Synonyms: | Propanoicacid, 2-chloro-, methyl ester, (S)-;(-)-2-Chloropropionic acid methyl ester;(-)-Methyl 2-chloropropanoate;(-)-Methyl 2-chloropropionate;(-)-Methyl a-chloropropionate;(S)-(-)-2-Chloropropionic acid methyl ester;(S)-2-Chloropropanoic acid methylester;(S)-2-Chloropropionic acid methyl ester;(S)-Methyl 2-chloropropionate;L-a-Chloropropionic acid methylester;Methyl (S)-(-)-2-chloropropionate;Methyl (S)-2-Chloropropanoate;Methyl(S)-a-chloropropionate;MethylL-(-)-2-chloropropionate;Methyl l-a-chloropropionate; |
| EINECS: | 412-470-8 |
| Density: | 1.116 g/cm3 |
| Boiling Point: | 130.8 °C at 760 mmHg |
| Flash Point: | 37.6 °C |
| Appearance: | Colorless liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 10-36-48/22 |
| Safety: | 23-26-36 |
| Transport Information: | UN 2933 3/PG 3 |
| PSA: | 26.30000 |
| LogP: | 0.78670 |
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- 17392-83-5
(R)-Methyl lactate
- 73246-45-4
methyl-(S)-2-chloropropionate
| Conditions | Yield |
|---|---|
| With pyridine; thionyl chloride In N,N-dimethyl-formamide at 20 - 55℃; for 5h; Temperature; Reagent/catalyst; Solvent; | 90% |
- 17392-83-5
(R)-Methyl lactate
A
- 73246-45-4
methyl-(S)-2-chloropropionate
B
- 77287-29-7
methyl (2R)-2-chloropropanoate
| Conditions | Yield |
|---|---|
| With pyridine; thionyl chloride In N,N-dimethyl-formamide at 20 - 55℃; for 6h; | A 86% B n/a |
- 27871-49-4
(S)-Methyl lactate
- 73246-45-4
methyl-(S)-2-chloropropionate
| Conditions | Yield |
|---|---|
| With thionyl chloride at 100℃; | 75% |
| With thionyl chloride In diethyl ether at 20℃; for 16h; | 72% |
| Conditions | Yield |
|---|---|
| With thionyl chloride at 20℃; for 5h; Reflux; | 66% |
| With boron trifluoride | |
| With thionyl chloride optical yield given as %ee; | 124 mg |
- 186581-53-3, 908094-01-9
diazomethane
- 29617-66-1
(S)-2-chloropropanoic acid
- 73246-45-4
methyl-(S)-2-chloropropionate
| Conditions | Yield |
|---|---|
| With hexane |
| Conditions | Yield |
|---|---|
| With phosphorus pentachloride methyl ester of/the/ l-α-chloro-propionic acid; |
- 17392-83-5
(R)-Methyl lactate
A
- 73246-45-4
methyl-(S)-2-chloropropionate
B
- 20047-41-0, 57885-43-5, 5445-17-0, 62076-23-7
methyl (2S)-2-bromopropanoate
| Conditions | Yield |
|---|---|
| With pyridine; thionyl chloride; hydrogen bromide Yield given. Multistep reaction. Yields of byproduct given; |
- 77287-29-7
methyl (2R)-2-chloropropanoate
- 73246-45-4
methyl-(S)-2-chloropropionate
| Conditions | Yield |
|---|---|
| With N,N,N',N',N'',N''-hexamethylguanidinium chloride at 70℃; Product distribution; Further Variations:; Temperatures; Reagents; |
A
- 73246-45-4
methyl-(S)-2-chloropropionate
B
- 77287-29-7
methyl (2R)-2-chloropropanoate
| Conditions | Yield |
|---|---|
| With N,N,N',N',N'',N''-hexamethylguanidinium chloride at 70℃; Product distribution; Further Variations:; Temperatures; Reagents; |
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Specification
The (S)-(-)-Methyl 2-chloropropionate, with the CAS registry number 78341-97-6, is also known as (S)-(-)-2 Chloropropionic acid methyl ester. It belongs to the product categories of Categories: chiral; Chiral Compounds; Chiral Building Blocks; Esters (Chiral); Synthetic Organic Chemistry; Chiral Building Blocks; Esters; Organic Building Blocks. Its EINECS number is 412-470-8. This chemical's molecular formula is C4H7ClO2 and molecular weight is 122.55. What's more, its systematic name is Methyl (2S)-2-chloropropanoate. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides, heat and fire.
Physical properties of (S)-(-)-Methyl 2-chloropropionate are: (1)ACD/LogP: 0.872; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.87; (4)ACD/LogD (pH 7.4): 0.87; (5)ACD/BCF (pH 5.5): 2.71; (6)ACD/BCF (pH 7.4): 2.71; (7)ACD/KOC (pH 5.5): 71.03; (8)ACD/KOC (pH 7.4): 71.03; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.409; (14)Molar Refractivity: 27.163 cm3; (15)Molar Volume: 109.806 cm3; (16)Polarizability: 10.768×10-24cm3; (17)Surface Tension: 27.67 dyne/cm; (18)Density: 1.116 g/cm3; (19)Flash Point: 37.601 °C; (20)Enthalpy of Vaporization: 36.838 kJ/mol; (21)Boiling Point: 130.759 °C at 760 mmHg; (22)Vapour Pressure: 9.57 mmHg at 25°C.
Preparation of (S)-(-)-Methyl 2-chloropropionate: this chemical can be prepared by (S)-2-hydroxy-propionic acid methyl ester at the temperature of 20 °C. This reaction will need reagent SOCl2 and solvent diethyl ether with the reaction time of 16 hours. The yield is about 72%.
-(-)-Methyl 2-chloropropionate.jpeg)
Uses of (S)-(-)-Methyl 2-chloropropionate: it can be used to produce (S)-methyl 2-(acetylsulfanyl)propionate at the temperature of 25 °C. It will need solvent dimethylformamide. The yield is about 89%.
-(-)-Methyl 2-chloropropionate.jpeg)
When you are using this chemical, please be cautious about it as the following:
This chemical is flammable and is irritating to eyes. This substance is harmful as it has a danger of serious damage to health by prolonged exposure if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You should not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer). When using it, you need to wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl[C@H](C(=O)OC)C
(2)Std. InChI: InChI=1S/C4H7ClO2/c1-3(5)4(6)7-2/h3H,1-2H3/t3-/m0/s1
(3)Std. InChIKey: JLEJCNOTNLZCHQ-VKHMYHEASA-N