| Identification | More | [Name]
Benzyl 2-bromoacetate | [CAS]
5437-45-6 | [Synonyms]
2-BROMO-ACETIC ACID BENZYLESTER
BENZYL 2-BROMOACETATE
BENZYL BROMOACETATE
BROMOACETIC ACID BENZYL ESTER
TIMTEC-BB SBB006752
Acetic acid, bromo-, benzyl ester
Acetic acid, bromo-, phenylmethyl ester
bromo-aceticacibenzylester
bromo-aceticaciphenylmethylester
merbac35
Benzyl-2-Bromoacetate96%
Benzylbromoacetate,97%
Benzyl a-Bromoacetate
bromo-acetic acid phenylmethyl ester
Bromoacetic acid benzyl este
Phenylmethyl 2-bromoacetate
Bromoacetic acid benzyl | [EINECS(EC#)]
226-611-4 | [Molecular Formula]
C9H9BrO2 | [MDL Number]
MFCD00000190 | [Molecular Weight]
229.07 | [MOL File]
5437-45-6.mol |
| Chemical Properties | Back Directory | [Appearance]
Colorless to light yellow liqui | [Melting point ]
199-201 °C(Solv: water (7732-18-5)) | [Boiling point ]
166-170 °C22 mm Hg(lit.) | [density ]
1.446 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.544(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
Chloroform, Methanol | [form ]
Liquid | [color ]
Clear colorless to light yellow | [Specific Gravity]
1.446 | [Water Solubility ]
Not miscible or difficult to mix in water. | [BRN ]
973658 | [InChI]
1S/C9H9BrO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,6-7H2 | [InChIKey]
JHVLLYQQQYIWKX-UHFFFAOYSA-N | [SMILES]
BrCC(=O)OCc1ccccc1 | [LogP]
2.368 (est) | [CAS DataBase Reference]
5437-45-6(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzyl 2-bromoacetate(5437-45-6) | [EPA Substance Registry System]
5437-45-6(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P264-P271-P280-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection . | [RIDADR ]
2810 | [WGK Germany ]
3
| [RTECS ]
AF5957215
| [F ]
19 | [REACH Registrations]
Active | [HS Code ]
29159080 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless to light yellow liqui | [Uses]
It is employed in biological research purpose. Benzyl bromoacetate was used in the alkylation of (-)-2,3-O-isopropylidene-D-threitol that afforded lipopeptide, 2-[(4R,5R)-5-({[(9H-fluoren-9-yl)methoxy]carbonylaminomethyl}-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetic acid. | [Synthesis]
General method: A mixture of acid 2 (0.033 g), 2-bromoacetic acid (3a) (0.137 g, 0.988 mmol) adsorbed on silica gel and benzyl alcohol (4a) (0.108 g, 1.000 mmol) was stirred and reacted at 80°C for 24 h under argon protection. After completion of the reaction, the mixture was cooled to room temperature, ether (5 mL x 5) was added for extraction, and the organic layer was separated by decantation from the silica gel adsorbed acid 2. The organic layer was concentrated under reduced pressure to remove the solvent, and then purified by silica gel column chromatography to afford benzyl 2-bromoacetate (5aa) (0.189 g, 83% yield) using hexane/ethyl acetate (v/v = 10/1) as eluent. The silica gel adsorbed acid 2 was recovered by vacuum drying at room temperature to give a white powder (0.033 g, 99% recovery). | [Purification Methods]
Dilute the ester with Et2O, wash it with 10% aqueous NaHCO3, H2O, dry (MgSO4) and fractionate it using a Fenske (glass helices packing) column. [Bergmann & Szinai J Chem Soc 1521 1956, Beilstein 6 IV 2265.] LACHRYMATORY. | [References]
[1] Journal of Molecular Catalysis A: Chemical, 2013, vol. 367, p. 116 - 120 |
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