(S)-tert-butyl 6-(5-(7-broMo-9,9-difluoro-9H-fluoren-2-yl)-1H-iMidazol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate

Basic Information

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CAS Number

1441670-89-8

Molecular Formula

C27H26BrF2N3O2

Molecular Weight

542.42 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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)(C)OC(=O)N1CC2(CC2)CC1C3=NC=C(N3)C4=CC5=C(C=C4)C6=C(C5(F)F)C=C(C=C6)Br

InChI

InChI=1S/C27H26BrF2N3O2/c1-25(2,3)35-24(34)33-14-26(8-9-26)12-22(33)23-31-13-21(32-23)15-4-6-17-18-7-5-16(28)11-20(18)27(29,30)19(17)10-15/h4-7,10-11,13,22H,8-9,12,14H2,1-3H3,(H,31,32)/t22-/m0/s1

InChIKey

CZEZIZZCMWUQHO-QFIPXVFZSA-N

LogP

7.421800000000006

Topological Polar Surface Area

58.22 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

847

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

ledipasvir interMediate
InterMediate of Ledipasvir
(S)-tert-butyl 6-(5-(7-broMo-9,9-difluoro-9H-fluoren-2-yl)-1H-iMidazol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate
(6S)-tert-butyl-6-(5-(7-broMo-9,9-difluoro-9H-fluoren-2-yl)-1H-iMidazol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate
(6S)-6-[5-(7-Bromo-9,9-difluoro-9H-fluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylic acid 1,1-dimethylethyl ester
5-Azaspiro[2.4]heptane-5-carboxylic acid, 6-[5-(7-broMo-9,9-difluoro-9H-fluoren-2-yl)-1H-iMidazol-2-yl]-, 1,1-diMethylethyl ester, (6S)-
tert-butyl (6S)-6-[5-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate
tert-Butyl (6S)-6-[5-(7-bromo-9,9-difluoro-9H-fluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate
SCHEMBL19232180
AMY4178
CS-Z0007
A853036
CZEZIZZCMWUQHO-QFIPXVFZSA-N
tert-Butyl (6S)-6-[5-(7-bromo-9,9-difluoro-9H-fluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane
DTXSID001101609
1441670-89-8
I11541
(S)-tert-butyl6-(5-(7-broMo-9,9-difluoro-9H-fluoren-2-yl)-1H-iMidazol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate
tert-butyl (6S)-6-[4-(7-bromo-9,9-difluorofluoren-2-yl)-1H-imidazol-2-yl]-5-azaspiro[2.4]heptane-5-carboxylate
EC 939-899-8
(S)-tert-Butyl 6-(5-(7-bromo-9,9-difluoro-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro(2.4)heptane-5-carboxylate
(6S)-t-Butyl-6-(5-(7-bromo-9,9-difluoro-9H-fluoren-2-yl)-1h-imidazol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate
AKOS028109756
tert-butyl (S)-6-(5-(7-bromo-9,9-difluoro-9H-fluoren-2-yl)-1H-imidazol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate
(6S)-TERT-BUTYL-6-(5-(7-BROMO-9,9-DIFLUORO-9H-FLUOREN-2-YL)-1H-IMIDAZOL-2-YL)-5-AZASPIRO[2.4]HEPTANE-5-CARBOXYLATE
SCHEMBL16541579
5-Azaspiro[2.4]heptane-5-carboxylic acid, 6-[5-(7-bromo-9,9-difluoro-9H-fluoren-2-yl)-1H-imidazol-2-yl]-, 1,1-dimethylethyl ester, (6S)-
AC-28973
NS00001600
MFCD28386931
DS-19340

MDL Number

MFCD28386931

FAQ

What regulatory guidelines apply to (S)-tert-butyl 6-(5-(7-broMo-9,9-difluoro-9H-fluoren-2-yl)-1H-iMidazol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate (CAS: 1441670-89-8)?

This compound (CAS: 1441670-89-8) falls under the scope of several regulatory guidelines. It is subject to REACH in the EU, which requires manufacturers and importers to register substances with the European Chemicals Agency (ECHA). In the US, it would be regulated by the EPA, and it should comply with FDA requirements for chemical substances. It is also important to adhere to GHS classification and labeling requirements for transport and storage.

Are there alternatives to (S)-tert-butyl 6-(5-(7-broMo-9,9-difluoro-9H-fluoren-2-yl)-1H-iMidazol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate (CAS: 1441670-89-8) in synthesis?

Alternative reagents and compounds, such as similar azaspiro compounds with different substituents, can be used as alternatives. For instance, other fluorene-based intermediates or different azabicycles can serve as viable alternatives in the synthesis process. It is crucial to consider the specific reactivity and functional groups of the compound when selecting alternatives.

What is the market or research trend for (S)-tert-butyl 6-(5-(7-broMo-9,9-difluoro-9H-fluoren-2-yl)-1H-iMidazol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate (CAS: 1441670-89-8)?

The research trend for this compound (CAS: 1441670-89-8) is focused on its potential applications in medicinal chemistry and organic synthesis. It is often used as a key intermediate in the development of complex organic molecules. Market trends indicate increasing interest in novel chemical structures for drug discovery and synthetic methodologies.

How should waste containing (S)-tert-butyl 6-(5-(7-broMo-9,9-difluoro-9H-fluoren-2-yl)-1H-iMidazol-2-yl)-5-azaspiro[2.4]heptane-5-carboxylate (CAS: 1441670-89-8) be handled?

Waste containing this compound (CAS: 1441670-89-8) should be collected and managed according to local and national hazardous waste regulations. Professional waste disposal services should be used for incineration or chemical neutralization to ensure environmental protection. It is important to follow safety precautions and proper handling procedures to prevent contamination and ensure compliance with environmental standards.