1-[(2S)-3-Bromo-2-methylpropanoyl]-L-proline | CAS No. 80629-35-2

1-[(2S)-3-Bromo-2-methylpropanoyl]-L-proline

Basic Information

CAS Number

80629-35-2

Molecular Formula

C9H14BrNO3

Molecular Weight

264.12 g/mol

AD

Basic Physical Properties

Melting Point

110-114 ºC

Density

1.555±0.06 g/cm3 (20 ºC 760 Torr),

O=C([C@H]1N(C([C@H](C)CBr)=O)CCC1)O

InChI

InChI=1S/C9H14BrNO3/c1-6(5-10)8(12)11-4-2-3-7(11)9(13)14/h6-7H,2-5H2,1H3,(H,13,14)/t6-,7+/m1/s1

InChIKey

SJYSAVFKJLHJHP-RQJHMYQMSA-N

LogP

1.0929999999999997

Topological Polar Surface Area

57.61 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Synonyms & References

English

  • L-Proline, 1-(3-bromo-2-methyl-1-oxopropyl)-, (S)-
  • 1-[(2S)-3-Bromo-2-methyl-1-oxopropyl]-L-proline
  • 1-(3-bromo-2S-methylpropionyl)-pyrrolidine-2S-carboxylic acid
  • Captopril EP Impurity B
  • (2S)-1-[(2S)-3-Bromo-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
  • ((S)-3-bromo-2-methylpropanoyl)-L-proline

MDL Number

MFCD27966950

FAQ

What regulatory guidelines apply to 1-[(2S)-3-Bromo-2-methylpropanoyl]-L-proline (CAS: 80629-35-2)?

1-[(2S)-3-Bromo-2-methylpropanoyl]-L-proline (CAS: 80629-35-2) falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), requiring proper labeling and safety data sheets. It is also regulated by REACH in the European Union, which mandates registration, evaluation, authorization, and restriction of chemicals. Additionally, the U.S. FDA and EPA have specific guidelines for handling and disposal to ensure environmental safety and compliance with hazardous materials regulations.

Are there alternatives to 1-[(2S)-3-Bromo-2-methylpropanoyl]-L-proline (CAS: 80629-35-2) in synthesis?

While 1-[(2S)-3-Bromo-2-methylpropanoyl]-L-proline (CAS: 80629-35-2) is a specific compound, its synthesis can be achieved using analogs such as other proline derivatives or isomers. Common alternative reagents in the synthesis include bromoacetic acid and methyl propanoate. These alternatives can provide similar functionality and can be used depending on the specific application and desired properties of the final product.

What is the market or research trend for 1-[(2S)-3-Bromo-2-methylpropanoyl]-L-proline (CAS: 80629-35-2)?

The market for 1-[(2S)-3-Bromo-2-methylpropanoyl]-L-proline (CAS: 80629-35-2) is growing due to its use in various applications, including pharmaceuticals and agrochemicals. Research trends are focusing on its potential as a key intermediate in the development of new drugs and pesticides. Market demand is expected to increase with the advancement of medical and agricultural technologies.

How should waste containing 1-[(2S)-3-Bromo-2-methylpropanoyl]-L-proline (CAS: 80629-35-2) be handled?

Waste containing 1-[(2S)-3-Bromo-2-methylpropanoyl]-L-proline (CAS: 80629-35-2) should be collected in appropriate containers and stored separately from incompatible substances. Waste liquid should be neutralized and then disposed of through commercial waste treatment facilities. Incineration is another method for disposal, but it must be conducted in an environmentally controlled incinerator to prevent the release of bromine compounds. Environmental protection measures include ensuring proper ventilation and personal protective equipment for handlers.

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