| Identification | More | [Name]
Ethyl 2-bromopropionate | [CAS]
535-11-5 | [Synonyms]
2-BROMOPROPANOIC ACID ETHYL ESTER
2-BROMOPROPIONIC ACID ETHYL ESTER
ALPHA-BROMOPROPIONIC ACID ETHYL ESTER
DL-ETHYL 2-BROMOPROPIONATE
ETHYL 2-BROMOPROPANOATE
ETHYL 2-BROMOPROPIONATE
ETHYL ALPHA-BROMOPROPIONATE
2-bromo-propanoicaciethylester
2-bromo-propionicaciethylester
Ethanol, 2-bromo, propanoate
Ethyl alpha-bromopropanoate
Ethyl dl-2-bromopropionate
ethylalpha-bromopropanoate
Ethyl-bromopropanoate
Propanoicacid,2-bromo-,ethylester
Propionic acid, 2-bromo-, ethyl ester
α-Bromopropionic acid, ethyl ester
ETHYL A-BROMO PROPIONOATE
ethyl α-bromo propionoate
Ethyl a-bromopropionate | [EINECS(EC#)]
208-609-5 | [Molecular Formula]
C5H9BrO2 | [MDL Number]
MFCD00000144 | [Molecular Weight]
181.03 | [MOL File]
535-11-5.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless to very slightly yellow liquid | [Melting point ]
<25 °C | [Boiling point ]
156-160 °C (lit.) | [density ]
1.394 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.446(lit.)
| [Fp ]
125 °F
| [storage temp. ]
Flammables area | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Liquid | [color ]
Clear colorless to very slightly yellow | [Water Solubility ]
Immiscible | [Merck ]
14,3772 | [BRN ]
773920 | [Dielectric constant]
9.3000000000000007 | [Stability:]
Corrosive | [InChI]
1S/C5H9BrO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3 | [InChIKey]
ARFLASKVLJTEJD-UHFFFAOYSA-N | [SMILES]
CCOC(=O)C(C)Br | [CAS DataBase Reference]
535-11-5(CAS DataBase Reference) | [NIST Chemistry Reference]
Propanoic acid, 2-bromo-, ethyl ester(535-11-5) | [EPA Substance Registry System]
535-11-5(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS02,GHS05 | [Signal word ]
Danger | [Hazard statements ]
H226-H314 | [Precautionary statements ]
P210-P233-P240-P280-P303+P361+P353-P305+P351+P338 | [Hazard Codes ]
C,Xn | [Risk Statements ]
R10:Flammable.
R34:Causes burns.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/22:Harmful by inhalation and if swallowed . | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
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 label where possible) .
S37/39:Wear suitable gloves and eye/face protection . | [RIDADR ]
UN 2920 8/PG 2
| [WGK Germany ]
3
| [RTECS ]
UA2451730
| [F ]
8-19 | [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29159080 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Flam. Liq. 3
Skin Corr. 1B | [Toxicity]
LD50 orally in Rabbit: 281 mg/kg |
| Hazard Information | Back Directory | [Chemical Properties]
clear colorless to very slightly yellow liquid | [Uses]
Ethyl 2-Bromopropionate is an intermediate in the synthesis of organic compounds and pharmaceuticals. | [Synthesis]
General procedure for the synthesis of ethyl 2-bromopropionate from ethanol and 2-bromopropionic acid: (a) (ii) A solution of Et2O (5 mL) in 1 M HCl was added to a solution of EtOH (200 mL) in 2-bromopropionic acid (25 g). The reaction mixture was heated to reflux overnight. Upon completion of the reaction, the solvent was removed by rotary evaporator to give a yellow oily product, ethyl 2-bromopropionate, in a yield of 20.4 g (about 75% yield). The product was characterized by 1H NMR (500 MHz, CDCl3): δ 4.36 (q, J = 7.00 Hz, 1H), 4.24 (qd, J = 7.00 Hz, 2.69 Hz, 2H), 1.83 (d, J = 7.08 Hz, 3H), 1.31 (t, J = 7.20 Hz, 3H). | [Purification Methods]
Wash the ester with saturated aqueous Na2CO3 (three times), 50% aqueous CaCl2 (three times) and saturated aqueous NaCl (twice). Dry with MgSO4, CaCl2 or CaCO3, and distil it. [Beils | [References]
[1] ACS Medicinal Chemistry Letters, 2017, vol. 8, # 3, p. 304 - 309
[2] Patent: WO2010/86613, 2010, A1. Location in patent: Page/Page column 39
[3] Journal of the American Chemical Society, 2014, vol. 136, # 50, p. 17662 - 17668
[4] Justus Liebigs Annalen der Chemie, 1879, vol. 197, p. 13
[5] Monatshefte fuer Chemie, 1881, vol. 2, p. 546 |
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