2-Methyl-2-propanyl (6E)-7-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-5-hydroxy-3-oxo-6-heptenoate

Basic Information

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CAS Number

194934-95-7

Molecular Formula

C28H32FNO4

Molecular Weight

465.57 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

647.7 °C at 760 mmHg

Flash Point

647.7 °C at 760 mmHg

Refractive Index

1.552

SMILES

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CC(C)N1C2=CC=CC=C2C(=C1C=CC(CC(=O)CC(=O)OC(C)(C)C)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C28H32FNO4/c1-18(2)30-24-9-7-6-8-23(24)27(19-10-12-20(29)13-11-19)25(30)15-14-21(31)16-22(32)17-26(33)34-28(3,4)5/h6-15,18,21,31H,16-17H2,1-5H3/b15-14+

InChIKey

CHEYRYWZYKYUHU-CCEZHUSRSA-N

LogP

6.093400000000008

Topological Polar Surface Area

68.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

722

Synonyms & References

English

BCP28674
(6E)-7-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-5-hydroxy-3-oxo-6-heptenoic Acid 1,1-Dimethylethyl Ester
AC-26813
1,1-Dimethylethyl (6E)-7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-5-hydroxy-3-oxo-6-heptenoate
2-Methyl-2-propanyl (6E)-7-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-5-hydroxy-3-oxo-6-heptenoate
tert-butyl (E)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-5-hydroxy-3-oxohept-6-enoate
SCHEMBL4906083
7-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-5-hydroxy-3-oxo-6-heptenoic acid 1,1-dimethylethyl ester
375846-25-6
(E)-tert-Butyl 7-(3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl)-5-hydroxy-3-oxohept-6-enoate
O-tert-Butyl-3-keto Fluvastatin
fhh: fluvastatin intermediate
(E)-tert-Butyl7-(3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl)-5-hydroxy-3-oxohept-6-enoate
194934-95-7
DTXSID101110267
TERT-BUTYL (E)-7-[3-(4-FLUOROPHENYL)-1-(1-METHYLETHYL)-1H-INDOL-2-YL]-5-HYDROXY-3-OXO-6-HEPTENOATE
tert-butyl (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-5-hydroxy-3-oxohept-6-enoate
A823770
tert-Butyl(E)-7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-5-hydroxy-3-oxo-6-heptenoate
SCHEMBL6773187
AKOS015897014
tert-Butyl (E)-7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-5-hydroxy-3-oxo-6-heptenoate
FHH: FLUVASTATIN INTERMEDIATE
Fluvastatin tert-butyl ester
6-Heptenoicacid, 7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-5-hydroxy-3-oxo-,1,1-dimethylethyl ester, [S-(E)]-
7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-5-hydroxy-3-oxo-Tert-butylester
(E)-7-(3-(4-FLUOROPHENYL)-1-(1-METHYLETHYL)INDOL-2-YL )-5-HYDROXY-3-OXOHEPT-6-ENOIL ACID TERT BUTYL ESTER
(E)-6-Heptenoicacid,7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-5-hydroxy-3-oxo-Tert-butylester
(E)-(±)-7-[3- (4-fluorophenyl)-1-(-1-Methylethyl)-1H-indol-2-yl]-3, 5-dihydroxy-6-heptenoic acid 1,1-diMethyl ester

MDL Number

MFCD09030595

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl (6E)-7-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-5-hydroxy-3-oxo-6-heptenoate (CAS: 194934-95-7)?

The compound is a crystalline solid with a molecular weight of approximately 441.4 g/mol. It is slightly soluble in common organic solvents like methanol and ethanol. Chemically, it is reactive towards nucleophiles and can undergo electrophilic substitution reactions. It is sensitive to moisture and should be stored in a desiccator.

How is 2-Methyl-2-propanyl (6E)-7-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-5-hydroxy-3-oxo-6-heptenoate (CAS: 194934-95-7) typically synthesized?

This compound is typically synthesized via a multi-step process involving condensation, alkylation, and hydroxylation reactions. Commonly used catalysts include metal complexes and organic bases. The overall yield is around 70%, with good regioselectivity and stereoselectivity.

What industries use 2-Methyl-2-propanyl (6E)-7-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-5-hydroxy-3-oxo-6-heptenoate (CAS: 194934-95-7)?

This compound is used in the pharmaceutical industry for the development of specialized drugs. It is also utilized in the production of certain sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 2-Methyl-2-proanyl (6E)-7-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-5-hydroxy-3-oxo-6-heptenoate (CAS: 194934-95-7)?

Proper personal protective equipment (PPE) is necessary, including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood. Spills should be handled with caution using absorbent materials and cleaned up according to safety data sheet (SDS) guidelines.