| Identification | More | [Name]
(S)-(-)-2-Chloropropionic acid | [CAS]
29617-66-1 | [Synonyms]
2-CHLOROPROPANOIC ACID
L-(A)-CHLOROPROPIONIC ACID
L-ALPHA-CHLOROPROPIONIC ACID
PROPANOIC ACID, 2-CHLORO-, (2S)-
(S)-(-)-2-CHLOROPROPANOIC ACID
(S)-(-)-2-CHLOROPROPIONIC ACID
(S)-2-CHLOROPROPIONIC ACID
(S)-(-)-2-CHLOROPROPIONOIC ACID
(2s)-chloropropanoicacid
(s)-propanoicaci
2(s)-chloropropionicacid
2-chloro-,(2S)-Propanoicacid
alpha-l-chloropropionicacid
l-2-chloropropanoicacid
l-2-chloropropionicacid
(S)-(−
)-2-Chloropropanoic acid
L-α-Chloropropionic acid
L-(-)-2-Chloro Proxic Acid
L-2-CHLOROPROPINONICAL
S-(-)-2-Chloropropanoic | [EINECS(EC#)]
411-150-5 | [Molecular Formula]
C3H5ClO2 | [MDL Number]
MFCD00064205 | [Molecular Weight]
108.52 | [MOL File]
29617-66-1.mol |
| Chemical Properties | Back Directory | [Appearance]
Colourless Oil | [Melting point ]
4 °C
| [alpha ]
-14.5 º (c=neat) | [Boiling point ]
77 °C/10 mmHg (lit.) | [density ]
1.258 g/mL at 20 °C(lit.)
| [vapor pressure ]
5hPa at 20℃ | [refractive index ]
n20/D 1.436
| [Fp ]
140 °F
| [storage temp. ]
2-8°C
| [solubility ]
DMSO (Slightly), Methanol (Slightly), Water (Slightly) | [form ]
Liquid | [pka]
2.83(at 25℃) | [color ]
Clear light yellow | [Optical Rotation]
[α]25/D -14°, neat | [Water Solubility ]
soluble | [BRN ]
1720257 | [InChI]
1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m0/s1 | [InChIKey]
GAWAYYRQGQZKCR-REOHCLBHSA-N | [SMILES]
C[C@H](Cl)C(O)=O | [LogP]
0.82 at 20.5℃ | [CAS DataBase Reference]
29617-66-1(CAS DataBase Reference) | [NIST Chemistry Reference]
(S)-(-)-2-chloropropionic acid(29617-66-1) |
| Hazard Information | Back Directory | [Description]
(S)-2-chloropropanoic acid is a monocarboxylic acid that is propanoic acid substituted at position 2 by a chloro group (the S-enantiomer). It has a role as a neurotoxin. It is a monocarboxylic acid and a chlorocarboxylic acid. It is functionally related to propionic acid. It is a conjugate acid of a (S)-2-chloropropanoate.
| [Chemical Properties]
Colourless Oil | [Uses]
Through the stereo displacement of (S)-(-)-2-Chloropropionic acid PPAR Agonist can be synthesized via asymmetric hydrogenation of a cinnamic acid derivative. | [Definition]
ChEBI: A monocarboxylic acid that is propanoic acid substitued at position 2 by a chloro group (the S-enantiomer). | [General Description]
2-Chloropropionic acid is an essential raw material for synthesising pesticides, dyes and medicines. Its application involves many sectors of the national economy and people's daily lives. It is an essential fine chemical product. In particular, (S)-(-)-2-Chloropropionic acid is a crucial intermediate for synthesising highly efficient and low-toxic aromatic oxygen propionic acid herbicides. For example, it can be used to synthesize (R)-2-(4-hydroxyphenoxy) propionic acid (ester) intermediates, fenthionyl, fenthionyl, fenthionyl, etc. At present, the preparation methods of (S)-(-)-2-chloropropionic acid and (R)-(+)-2-chloropropionic acid include: (1) chemical resolution method; (2) bioenzymatic resolution method; (3) chromatographic resolution method; (4) asymmetric synthesis method, etc.
| [Flammability and Explosibility]
Nonflammable | [Synthesis]
JP 061172846 provides a method for resolving racemic 2-chloropropionic acid using an optically active 2-aryl-2-isopropylethylamine as a resolving agent to obtain (S)-(-)-2-Chloropropionic acid (yield 24.2% and enantiomeric excess 83.2%). DE 4328231 provides a method for catalyzing the hydrolysis of 2-chloropropionic acid esters by a hydrolase (Pseudomonas Lipase) to hydrolyze (S)-2-chloropropionic acid esters to generate (S)-(-)-2-Chloropropionic acid. | [Purification Methods]
Purify the acid by fractionating twice through a 115cm Podbielniak column (p 11, calculated 50 theoretical plates at atmospheric pressure) using a take-off ratio of 1:5. The acid chloride is prepared by dissolving the acid in SOCl2, adding a few drops of PCl3, refluxing and then distilling through a 30cm column, b 53o/100mm, [] -4.6o (neat), d 1.2689, n1.4368. [Fu et al. J Am Chem Soc 76 6954 1954, Beilstein 2 IV 745.] |
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