324922

(−)-Methyl (S)-3-bromo-2-methylpropionate

97%

• Synonym(s): (−)-Methyl (S)-β-bromoisobutyrate
• Linear Formula: BrCH₂CH(CH₃)CO₂CH₃
• CAS Number: 98190-85-3
• Molecular Weight: 181.03
• Beilstein/REAXYS Number: 1720832
• MDL number: MFCD00064487
• UNSPSC Code: 12352101
• PubChem Substance ID: 24859479
• NACRES: NA.22

Properties

• assay: 97%
• form: liquid
• optical activity: [α]20/D −23 to −16°, c = 5 neat
• optical purity: ee: 99% (GLC)
• refractive index: n20/D 1.455 (lit.)
• bp: 97.5-98.5 °C/62 mmHg (lit.)
• density: 1.422 g/mL at 25 °C (lit.)
• functional group: bromo; ester
• SMILES string: COC(=O)[C@H](C)CBr
• InChI: 1S/C5H9BrO2/c1-4(3-6)5(7)8-2/h4H,3H2,1-2H3/t4-/m1/s1
• InChI key: FKWNAVCXZSQYTA-SCSAIBSYSA-N

Description

Application

(−)-Methyl (S)-3-bromo-2-methylpropionate can be used:

• As a reference substrate in the alkylation reactions of vitamin B₁₂ derivatives.
• As a starting material in the preparation of biologically significant 3-[(2H-1,2,4-benzothiadiazine-1,1-dioxide-3-yl)thio]-2-methylpropanoic acids.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 163.4 °F - closed cup
• flash_point_c: 73 °C - closed cup
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter