tert-Butyl Fluvastatin

Basic Information

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CAS Number

129332-29-2

Molecular Formula

C28H34FNO4

Molecular Weight

467.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

SMILES

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

InChI

InChI=1S/C28H34FNO4/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/h6-15,18,21-22,31-32H,16-17H2,1-5H3/b15-14+

InChIKey

USGKHYXJISAYPE-CCEZHUSRSA-N

LogP

5.885200000000007

Topological Polar Surface Area

71.69 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

682

Synonyms & References

English

129332-29-2
1,1-Dimethylethyl (3RS,5SR,6E)-7-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoate (Fluvastatin tert-Butyl Ester)
AC-6853
6-Heptenoic acid,7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-,1,1-dimethylethyl ester, (3R,5S,6E)-
(3S,5S,6E)-O-tert-Butyl Fluvastatin
tert-Butyl (E)-3,5-Dihydroxy-7-[3'-(4''-fluorophenyl)-1'-methylethylindol-2'-yl)hept-6-enoate
tert-butyl (E)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoate
t-Butyl(E)-3,5-dihydroxy-7-[3'-(4''-fluorophenyl)-1'-methylethyl-indol-2'-yl]-6-heptenoate
SCHEMBL557747
Fluvastatin tert-Butyl Ester
(3S,5R,E)-tert-Butyl 7-(3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl)-3,5-dihydroxyhept-6-enoate
t-Butyl(E)-3,5-dihydroxy-7-[3-(4-fluorophenyl)-1-methylethyl-indol-2-yl]-6-heptenoate
7-[3-(4-fluorophenyl)-1-propan-2-yl-2-indolyl]-3,5-dihydroxy-6-heptenoic acid tert-butyl ester
AKOS015897007
7-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoic acid 1,1-dimethylethyl ester
SCHEMBL557746
BCP14255
tert-Butyl (E)-3,5-dihydroxy-7-[3'-(4''-fluorophenyl)-1'-methylethyl-indol-2'-yl]-6-heptenoate
Fluvastatin sodium intermediate F4
tert-Butyl Fluvastatin
tert-butyl (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoate
tert-butyl (6E)-7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoate
tert-Butyl(R*,S*-(E))-(±)-7-[3-(4-fluorophenyl)-1-(-1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoa
tert-Butyl (3R,5S,6E)-rel-7-[3-(4-Fluorophenyl)-1-isopropyl-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoate
6-Heptenoicacid, 7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-,1,1-dimethylethyl ester, [R*,S*-(E)]-(?à)-
6-Heptenoic acid,7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-,1,1-dimethylethyl ester, [R*,S*-(E)]-
tert-Butyl (E)-3,5-d
Fluvastatin Related CoMpound B
t-Butyl(E)-3,5-dihydroxy-7-[3'-(4''-fluorophenyl)-1'-methylethyl-indol-2'-yl]-6-
(6E)-7-{3-[1-(4-fluorophenyl)propan-2-yl]-1H-indol-2-yl}-3,5-dihydroxy-8,8-diMethylnon-6-enoate
tert-Butyl(R*,S*-(E))-(±)-7-[3-(4-fluorophenyl)-1-(-1-Methylethyl) -1H-indol-2-yl]-3,5-dihydroxyhept-6-enoate

MDL Number

MFCD08460211

FAQ

What regulatory guidelines apply to tert-Butyl Fluvastatin (CAS: 129332-29-2)?

The production, import, and use of tert-Butyl Fluvastatin are regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in Europe, and requirements set by the FDA and EPA in the United States. These guidelines cover safety data sheets (SDS), hazard communication, and environmental release controls. Companies must ensure compliance with these regulations to avoid penalties and ensure safe handling and disposal.

Are there alternatives to tert-Butyl Fluvastatin (CAS: 129332-29-2) in synthesis?

In the synthesis of statins, alternatives to tert-Butyl Fluvastatin include other tert-butyl derivatives such as tert-butyl fluvastatin acid and various isomers. Common alternative reagents include tert-butanol and tert-butyldimethylsilyl chloride, which can be used in similar reactions to achieve similar outcomes. The choice of reagents often depends on the specific reaction requirements and desired product purity.

What is the market or research trend for tert-Butyl Fluvastatin (CAS: 129332-29-2)?

The market for tert-Butyl Fluvastatin is influenced by ongoing research into statins for lipid management and cardiovascular health. Recent trends indicate a focus on developing more effective and safer statin analogs. The chemical is primarily used in the synthesis of fluvastatin for cholesterol-lowering drugs. As research progresses, there is an increasing emphasis on understanding the pharmacokinetics and pharmacodynamics of fluvastatin derivatives to improve therapeutic outcomes and reduce adverse effects.

How should waste containing tert-Butyl Fluvastatin (CAS: 129332-29-2) be handled?

Waste containing tert-Butyl Fluvastatin should be collected in appropriate containers and stored separately to prevent contamination. The waste should be neutralized or incinerated in an approved facility to ensure proper disposal. Environmental protection measures include the use of personal protective equipment (PPE) and adherence to local environmental regulations. Companies are encouraged to follow best practices in waste management to minimize environmental impact and comply with regulatory requirements.