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CAS No.: | 29617-66-1 |
---|---|
Name: | (S)-(-)-2-Chloropropionic acid |
Article Data: | 49 |
Molecular Structure: | |
Formula: | C3H5ClO2 |
Molecular Weight: | 108.525 |
Synonyms: | (2S)-2-chloropropanoic acid;(S)-2-Chloropropionic acid;Propionic acid, 2-chloro-, L- (8CI);Propanoic acid, 2-chloro-, (S)-;alpha-L-Chloropropionic acid;S-2-Chloropropionic acid;(S)-2-Chloropropanoic acid;L-2-Chloropropanoic acid;(2S)-Chloropropanoic acid;L-2-chloropropinonical; |
EINECS: | 411-150-5 |
Density: | 1.285 g/cm3 |
Melting Point: | 4 °C |
Boiling Point: | 189 °C at 760 mmHg |
Flash Point: | 68.1 °C |
Solubility: | soluble in water |
Appearance: | colourless oil |
Hazard Symbols: | C |
Risk Codes: | 21/22-35 |
Safety: | 23-26-28-36/37/39-45 |
Transport Information: | UN 2511 8/PG 3 |
PSA: | 37.30000 |
LogP: | 0.69830 |
L-alanin
(S)-2-chloropropanoic acid
Conditions | Yield |
---|---|
With hydrogenchloride; nitrosylchloride In water at 0℃; for 1h; Temperature; | 94% |
With hydrogenchloride; sodium nitrite In water at -5 - 20℃; | 89% |
Stage #1: L-alanin With hydrogenchloride; tartaric acid; iron(II) chloride In water for 1h; Stage #2: With sodium nitrite In water at 0℃; for 4h; Reagent/catalyst; | 85.4% |
A
(S)-2-chloropropanoic acid
Conditions | Yield |
---|---|
With hydrogenchloride In 1,4-dioxane; water at 50℃; for 24h; Inert atmosphere; | A 91% B 93% |
A
(S)-2-chloropropanoic acid
C
(R)-2-chloropropionic acid
Conditions | Yield |
---|---|
With hydrogenchloride In 1,4-dioxane at 50℃; for 8h; Inert atmosphere; Resolution of racemate; | A n/a B 91% C n/a |
(S)-2-chloropropanoic acid
Conditions | Yield |
---|---|
With lithium hydroxide; dihydrogen peroxide In tetrahydrofuran at 0℃; for 0.25h; | 86% |
(+)-ethyl 2-chloropropionate
(S)-2-chloropropanoic acid
Conditions | Yield |
---|---|
With sodium hydroxide In water | 85% |
L-alanine
(S)-2-chloropropanoic acid
Conditions | Yield |
---|---|
With hydrogenchloride; sodium nitrite at 0℃; for 20h; | 71% |
(S)-2-Chlorpropionsaeure-isobutylester
(S)-2-chloropropanoic acid
Conditions | Yield |
---|---|
With potassium hydroxide In water at 0℃; | 59% |
(2R,3S)-(+)-3-chlorobutane-2-ol
(S)-2-chloropropanoic acid
Conditions | Yield |
---|---|
With potassium hydroxide; bromine at 50℃; |
Conditions | Yield |
---|---|
subtilisin In water at 30℃; Kinetics; | |
With 2-(di(2-hydroxyethyl)amino)ethanesulfonic acid; esterase from Pseudomonas fluorescens In water at 25℃; pH=7.20; Enzyme kinetics; | |
With 2-(di(2-hydroxyethyl)amino)ethanesulfonic acid; lipase from Ophiostoma piliferum In water at 25℃; pH=7.20; Enzyme kinetics; | |
With 2-(di(2-hydroxyethyl)amino)ethanesulfonic acid; lipase from Bacillus thermocatenulanatus In water at 40℃; pH=7.20; Enzyme kinetics; |
(RS)-1-Pentylpropynyl (L)-2-chloropropanoate
A
(S)-2-chloropropanoic acid
B
1-octyn-3-ol
C
(R)-1-Pentylpropynyl (L)-2-chloropropanoate
Conditions | Yield |
---|---|
With water; lipase CC lipase P; | |
With water; lipase CC Product distribution; or lipase P; | |
With lipase CC; water or lipase P; |
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The Molecular Structure of (S)-(-)-2-Chloropropionic acid (CAS NO.29617-66-1):
Empirical Formula: C3H5ClO2
Molecular Weight: 108.5236
CAS registry number: 29617-66-1
Appearance: Colourless Oil
IUPAC Name: (2S)-2-chloropropanoic acid
Nominal Mass: 108 Da
Average Mass: 108.5236 Da
Monoisotopic Mass: 107.997807 Da
Index of Refraction: 1.441
Molar Refractivity: 22.31 cm3
Molar Volume: 84.4 cm3
Surface Tension: 37.6 dyne/cm
Density: 1.285 g/cm3
Flash Point: 68.1 °C
Enthalpy of Vaporization: 46.87 kJ/mol
Boiling Point: 189 °C at 760 mmHg
Vapour Pressure: 0.26 mmHg at 25°C
InChI
InChI=1/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m0/s1
Smiles
C([C@@H](Cl)C)(O)=O
Synonyms: (2S)-Chloropropanoic acid ; (S)-2-Chloropropanoic acid ; (S)-2-Chloropropionic acid ; 2(S)-Chloropropionic acid ; L-2-Chloropropanoic acid ; L-2-Chloropropionic acid ; alpha-L-Chloropropionic acid ; Propanoic acid, 2-chloro-, (S)- ; Propionic acid, 2-chloro-, L- (8CI)
Product Categories: Chiral Compounds;chiral;Miscellaneous Reagents;Building Blocks for Liquid Crystals;Carboxylic Acids (Chiral);Chiral Building Blocks;Chiral Compounds (Building Blocks for Liquid Crystals);Functional Materials;Synthetic Organic Chemistry
(S)-(-)-2-Chloropropionic acid (CAS NO.29617-66-1) is used in the synthesis of muramic acid derivatives; Preparation of its ester and reaction with protected amino acid CESIUM salts to depsipeptides.
1、RTECS#: CAS# 29617-66-1: UA2451950
2、LD50/LC50: RTECS: Not available.
3、Carcinogenicity: (S)-(-)-2-Chloropropionic Acid - Not listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.
4、Other: See actual entry in RTECS for complete information.
Hazard Codes: C
Risk Statements: 21/22-35
R21/22: Harmful in contact with skin and if swallowed
R35: Causes severe burns
Safety Statements: 23-26-28-36/37/39-45
S23: Do not breathe vapour
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S28: After contact with skin, wash immediately with plenty of soap-suds
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2511 8/PG 3
WGK Germany: 1
RTECS: UA2451950
HazardClass: 8
PackingGroup: III
HS Code: 29159080
(1)Fire Fighting Measures of (S)-(-)-2-Chloropropionic acid (CAS NO.29617-66-1):
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: Use foam, dry chemical, or CARBON dioxide
(2)Handling and Storage of (S)-(-)-2-Chloropropionic Acid
Handling: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage: Store in a cool, dry place. Store in a tightly closed container. Corrosives area.