(S)-tert-Butyl 3-bromopyrrolidine-1-carboxylate

Basic Information

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CAS Number

569660-89-5

Molecular Formula

C9H16BrNO2

Molecular Weight

250.14 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

Basic Physical Properties

Boiling Point

278 ºC

Density

1.379

Flash Point

122 ºC

SMILES

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CC(C)(C)OC(=O)N1CCC(C1)Br

InChI

InChI=1S/C9H16BrNO2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6H2,1-3H3/t7-/m0/s1

InChIKey

QJTKPXFJOXKUEY-ZETCQYMHSA-N

LogP

2.3907000000000007

Topological Polar Surface Area

29.54 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

200

Safety Information

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Hazard Class

Class 9 Class 9

Synonyms & References

English

(S)-tert-Butyl 3-bromopyrrolidine-1-carboxylate
(S)-(+)-1-Boc-3-bromopyrrolidine
(S)-3-Bromo-pyrrolidine-1-carboxylic acid tert-butyl ester
1-Pyrrolidinecarboxylic acid, 3-bromo-, 1,1-dimethylethyl ester, (3S)-
SCHEMBL4343895
DTXSID40653094
AS-47290
569660-89-5
tert-Butyl (3S)-3-bromopyrrolidine-1-carboxylate
(S)-tert-Butyl3-bromopyrrolidine-1-carboxylate
F13112
EN300-1663561
1-Boc-(S)-3-bromopyrrolidine
MFCD17214728
DA-17304
AKOS015906886
QJTKPXFJOXKUEY-ZETCQYMHSA-N

MDL Number

MFCD17214728

FAQ

What is (S)-tert-Butyl 3-bromopyrrolidine-1-carboxylate (CAS: 569660-89-5)?

(S)-tert-Butyl 3-bromopyrrolidine-1-carboxylate is a chiral compound with the CAS number 569660-89-5. It is an organic molecule characterized by its tert-butyl group, bromine atom attached to the pyrrolidine ring, and a carboxylic acid function. This compound is highly reactive and commonly used in synthetic organic chemistry for its structural features.

What are the main uses of (S)-tert-Butyl 3-bromopyrrolidine-1-carboxylate (CAS: 569660-89-5)?

(S)-tert-Butyl 3-bromopyrrolidine-1-carboxylate is primarily used as a building block in pharmaceutical and industrial chemistry. It serves in the synthesis of various compounds, including drugs and organic materials, due to its unique chemical structure and reactivity.

Is (S)-tert-Butyl 3-bromopyrrolidine-1-carboxylate (CAS: 569660-89-5) safe?

(S)-tert-Butyl 3-bromopyrrolidine-1-carboxylate is generally safe when handled with appropriate precautions. However, it is essential to follow safety guidelines, including proper ventilation, use of personal protective equipment, and adherence to storage and disposal recommendations to minimize health risks and environmental impact.

How should (S)-tert-Butyl 3-bromopyrrolidine-1-carboxylate (CAS: 569660-89-5) be stored?

(S)-tert-Butyl 3-bromopyrrolidine-1-carboxylate should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to keep it in a tightly sealed container to prevent degradation and ensure chemical stability. Handling and storage should be performed under controlled conditions to maintain safety and efficacy.