Benzyl 2,4-dihydroxyphenyl ketone - CAS 3669-41-8
Catalog: |
BB023034 |
Product Name: |
Benzyl 2,4-dihydroxyphenyl ketone |
CAS: |
3669-41-8 |
Synonyms: |
1-(2,4-dihydroxyphenyl)-2-phenylethanone |
IUPAC Name: | 1-(2,4-dihydroxyphenyl)-2-phenylethanone |
Description: | Benzyl 2,4-dihydroxyphenyl ketone (CAS# 3669-41-8) is used in preparation of substituted pyrazoles, pyrimidines, triazoles and related heterocycles as c-MYC targeting agents for treatment of cancer and other proliferative diseases. |
Molecular Weight: | 228.24 |
Molecular Formula: | C14H12O3 |
Canonical SMILES: | C1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2)O)O |
InChI: | InChI=1S/C14H12O3/c15-11-6-7-12(14(17)9-11)13(16)8-10-4-2-1-3-5-10/h1-7,9,15,17H,8H2 |
InChI Key: | VFQKAJVKZKHVPD-UHFFFAOYSA-N |
Boiling Point: | 429.8 °C at 760 mmHg |
Purity: | 98.0% |
Density: | 1.278 g/cm3 |
Appearance: | Off-white crystalline powder |
LogP: | 2.52320 |
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-2020071411-A1 | Composition useful for production of acidic gas separation membrane | 20181004 |
CN-112888498-A | Composition useful for producing acid gas separation membranes | 20181004 |
EP-3862072-A1 | Composition useful for production of acidic gas separation membrane | 20181004 |
JP-WO2020071411-A1 | Composition useful for producing acid gas separation membrane | 20181004 |
US-2021268450-A1 | Composition useful for production of acidic gas separation membrane | 20181004 |
PMID | Publication Date | Title | Journal |
20799703 | 20100922 | Synthesis and structure-activity relationship study of deoxybenzoins on relaxing effects of porcine coronary artery | Journal of agricultural and food chemistry |
Complexity: | 258 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.078644241 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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