Methyl 2-(3-Bromophenyl)acetate - CAS 150529-73-0
Catalog: |
BB010550 |
Product Name: |
Methyl 2-(3-Bromophenyl)acetate |
CAS: |
150529-73-0 |
Synonyms: |
2-(3-bromophenyl)acetic acid methyl ester; methyl 2-(3-bromophenyl)acetate |
IUPAC Name: | methyl 2-(3-bromophenyl)acetate |
Description: | Methyl 2-(3-Bromophenyl)acetate (CAS# 150529-73-0) is used as a reagent to synthesize the methyl ester derivative of (R)-Flurbiprofen (F598730). (R)-Flurbiprofen is a nonsteroidal anti-inflammatory drug that exists as a racemate and also has potential application as a treatment for patients with Alzheimer's Disease. |
Molecular Weight: | 229.07 |
Molecular Formula: | C9H9BrO2 |
Canonical SMILES: | COC(=O)CC1=CC(=CC=C1)Br |
InChI: | InChI=1S/C9H9BrO2/c1-12-9(11)6-7-3-2-4-8(10)5-7/h2-5H,6H2,1H3 |
InChI Key: | ULSSGHADTSRELG-UHFFFAOYSA-N |
Boiling Point: | 268.6 ℃ at 760 mmHg |
Density: | 1.445 g/cm3 |
MDL: | MFCD06858764 |
LogP: | 2.16460 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021155316-A1 | Compounds and uses thereof | 20200129 |
KR-20210081286-A | Novel Amino Aryl Derivatives and Their Use as Inhibitors against Diacylglycerol Acyltransferase 2 | 20191223 |
WO-2021133035-A1 | Novel amino aryl derivative useful as diacylglycerol acyltransferase 2 inhibitor and use thereof | 20191223 |
WO-2021043116-A1 | Biphenyl compounds, preparation method therefor and medical use thereof | 20190902 |
CN-112441916-A | Novel phenylacetic acid derivatives, method for the production thereof and use thereof as medicaments | 20190829 |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.97859 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.97859 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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