4-Benzyloxy-2-butanone - CAS 6278-91-7
Catalog: |
BB031800 |
Product Name: |
4-Benzyloxy-2-butanone |
CAS: |
6278-91-7 |
Synonyms: |
4-phenylmethoxybutan-2-one |
IUPAC Name: | 4-phenylmethoxybutan-2-one |
Description: | 4-Benzyloxy-2-butanone (CAS# 6278-91-7) is an intermediate in the synthesis of 1-Amino-4-hydroxy-2-butanone Hydrochloride (A611177), a metabolite of Clavulanic Acid (C563750, potassium salt) which is a β-lactamase inhibitor, typically added to amoxicillin to increase its effectiveness. |
Molecular Weight: | 178.23 |
Molecular Formula: | C11H14O2 |
Canonical SMILES: | CC(=O)CCOCC1=CC=CC=C1 |
InChI: | InChI=1S/C11H14O2/c1-10(12)7-8-13-9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3 |
InChI Key: | BTOZGSIVAZGXCH-UHFFFAOYSA-N |
Boiling Point: | 90-92 ℃ / 0.1 mmHg (lit.) |
Density: | 1.027 g/cm3 |
MDL: | MFCD00042852 |
LogP: | 2.18230 |
GHS Hazard Statement: | H318 (99.49%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P280, P305+P351+P338, and P310 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
JP-2018076368-A | Combination of hepatitis C virus inhibitors | 20180111 |
AU-2016293316-A1 | 2-amino-1,3,4-thiadiazine and 2-amino-1,3,4-oxadiazine based antifungal agents | 20150714 |
CA-2991684-A1 | 2-amino-1,3,4-thiadiazine and 2-amino-1,3,4-oxadiazine based antifungal agents | 20150714 |
EP-3322705-A1 | 2-amino-1,3,4-thiadiazine and 2-amino-1,3,4-oxadiazine based antifungal agents | 20150714 |
JP-2018527316-A | Antifungal agents based on 2-amino-1,3,4-thiadiazine and 2-amino-1,3,4-oxadiazine | 20150714 |
Complexity: | 148 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.099379685 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS