Ethyl 2-(5-Bromo-2-fluorophenyl)-2-oxoacetate - CAS 668969-68-4
Catalog: |
BB033125 |
Product Name: |
Ethyl 2-(5-Bromo-2-fluorophenyl)-2-oxoacetate |
CAS: |
668969-68-4 |
Synonyms: |
2-(5-bromo-2-fluorophenyl)-2-oxoacetic acid ethyl ester; ethyl 2-(5-bromo-2-fluorophenyl)-2-oxoacetate |
IUPAC Name: | ethyl 2-(5-bromo-2-fluorophenyl)-2-oxoacetate |
Description: | Ethyl 2-(5-Bromo-2-fluorophenyl)-2-oxoacetate (CAS# 668969-68-4) is a versatile reactant used in the synthesis of a tricyclic BACE1 inhibitor warhead through β-lactam opening. |
Molecular Weight: | 275.07 |
Molecular Formula: | C10H8BrFO3 |
Canonical SMILES: | CCOC(=O)C(=O)C1=C(C=CC(=C1)Br)F |
InChI: | InChI=1S/C10H8BrFO3/c1-2-15-10(14)9(13)7-5-6(11)3-4-8(7)12/h3-5H,2H2,1H3 |
InChI Key: | YMQNEIXEJHZWSB-UHFFFAOYSA-N |
LogP: | 2.33400 |
Publication Number | Title | Priority Date |
AU-2012206527-A1 | BACE-2 inhibitors for the treatment of metabolic disorders | 20110113 |
CA-2824493-A1 | Bace-2 inhibitors for the treatment of metabolic disorders | 20110113 |
EP-2663308-A1 | Bace-2 inhibitors for the treatment of metabolic disorders | 20110113 |
JP-2014505689-A | BACE-2 inhibitor for the treatment of metabolic disorders | 20110113 |
KR-20140010031-A | UC-2 inhibitors for the treatment of metabolic disorders | 20110113 |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 273.96408 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 273.96408 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
-
[57166-92-4]
Methylenediamine dihydrochloride
-
[2874-73-9]
2,2-dimethyldodecanoic Acid
-
[597-35-3]
ethylsulfone
-
[3735-92-0]
Methyl dimethyldithiocarbamate
-
[120739-62-0]
N-[(6-Chloropyridin-3-yl)methyl]-N-methylamine
-
[132182-92-4]
Pentane, 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)-
INDUSTRY LEADERS TRUST OUR PRODUCTS