(R)-Methyl 3-bromo-2-methylpropanoate
Basic information
- CAS
110556-33-7- Standard SMILES
COC(=O)[C@@H](C)CBr- InChIKey
FKWNAVCXZSQYTA-BYPYZUCNSA-N- Molecular formula
- C5H9BrO2
- Average molar mass
- 181.03 g/mol
- Monoisotopic mass
- 179.97859
Overview
See also: (+)-Methyl (R)-3-bromo-2-methyl propionate (annotation moved to).
Names & identifiers
- Preferred name
- (R)-Methyl 3-bromo-2-methylpropanoate
- IUPAC
- methyl (2R)-3-bromo-2-methylpropanoate
- English name
- Methyl (R)-(+)-3-bromo-2-methylpropionate
- Molecular formula
- C5H9BrO2
- Molecular weight
- 181.03
Names & synonyms
110556-33-7(R)-Methyl 3-bromo-2-methylpropanoateMethyl (R)-(+)-3-bromo-2-methylpropionatemethyl (2R)-3-bromo-2-methylpropanoateMFCD00010639(R)-(+)-3-Bromoisobutyric Acid Methyl EsterPropanoic acid, 3-bromo-2-methyl-, methyl ester, (2R)-Methyl (R)-(+)-3-BromoisobutyrateMethyl (R)-3-Bromo-2-methylpropanoate(R)-(+)-3-Bromo-2-Methylpropionic Acid Methyl EsterDS-12126D70325
Show more names
Sacubitril Impurity 128methyl 3-bromo-2-methylpropionate(+)-methyl (r)-β-bromoisobutyrate(+)-METHYL (R)-BETA-BROMOISOBUTYRATEMethyl (R)-(+)-3-Bromoisobutyrate >Methyl (R)-3-Bromo-2-methylpropanoate
Methyl 3-bromo-2-methylpropanoate #AMY14329(R)-3-bromoisobutyric acid methyl esterR-(+)-3-Bromoisobutyric acid methyl estermethyl (2R)-3-bromo-SCHEMBL1140621BDBM36059DTXSID00348999
Database identifiers
- CAS
110556-33-7- PubChem CID
- 642242
- DTXSID
DTXSID00348999- Nikkaji
- J56.919D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 82.5
Physicochemical properties
- Boiling point
- 85 °C37 · 85 °C37 mm Hg(lit.)
- Density
- 1.422 g/mL · 1.422 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.455
- Flash point
- 165 °F · 165 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- liquid
- Appearance
- Colorless to light yellow Liquid
- optical activity
- 20 · [α]20/D +16°, neat
- BRN
- 1720833 · 1720833
- InChI
- InChI=1S/C5H9BrO2/c1-4(3-6)5(7)8-2/h4H,3H2,1-2H3/t4-/m0/s1
- InChIKey
- FKWNAVCXZSQYTA-BYPYZUCNSA-N
- SMILES
- C(OC)(=O)[C@@H](C)CBr
- UNSPSC Code
- 12352101 · 12352101
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 2915907098
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesMethyl (R)-(+)-3-bromo-2-methylpropionate can be used as a reactant to prepare: (S)-3-(6-Methoxy-pyridin-3-yl)-2-methylpropionic acid methylester by reacting with 5-bromo-2-methoxy pyridine via nucleophilic displacement reaction. Decahydroisoquinoline derivative (NVP-ACQ090) as a potent antagonist of somatostatin sst3 receptor.It can also be used as a reference compound in the enantioselective alkylation reaction of hydrophobic vitamin B12 derivatives.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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