3-(4-Fluorophenyl)-1-isopropylindole-2-carbaldehyde - CAS 101125-34-2
Catalog: |
BB000444 |
Product Name: |
3-(4-Fluorophenyl)-1-isopropylindole-2-carbaldehyde |
CAS: |
101125-34-2 |
Synonyms: |
3-(4-fluorophenyl)-1-propan-2-yl-2-indolecarboxaldehyde; 3-(4-fluorophenyl)-1-propan-2-ylindole-2-carbaldehyde |
IUPAC Name: | 3-(4-fluorophenyl)-1-propan-2-ylindole-2-carbaldehyde |
Description: | 3-(4-Fluorophenyl)-1-isopropylindole-2-carbaldehyde (CAS# 101125-34-2) is a Fluvastatin (F601250) intermediate. |
Molecular Weight: | 281.32 |
Molecular Formula: | C18H16FNO |
Canonical SMILES: | CC(C)N1C2=CC=CC=C2C(=C1C=O)C3=CC=C(C=C3)F |
InChI: | InChI=1S/C18H16FNO/c1-12(2)20-16-6-4-3-5-15(16)18(17(20)11-21)13-7-9-14(19)10-8-13/h3-12H,1-2H3 |
InChI Key: | NPWWALYZZIFFPB-UHFFFAOYSA-N |
Boiling Point: | 450 °C at 760 mmHg |
Density: | 1.14 g/cm3 |
LogP: | 4.84080 |
Publication Number | Title | Priority Date |
EP-2769979-A1 | Process for the preparation of key intermediates for the synthesis of Statins | 20130220 |
EP-2867231-B1 | Convenient process for the preparation of statins | 20130220 |
HU-E032117-T2 | Convenient process for the preparation of statins | 20130220 |
JP-2015533785-A | Simple method for producing statins | 20130220 |
JP-6027683-B2 | Simple method for producing statins | 20130220 |
Complexity: | 364 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 281.121592296 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.121592296 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 22 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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