Ethyl 2,2-difluoro-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoate | CAS No. 847986-13-4

Ethyl 2,2-difluoro-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoate

Basic Information

CAS Number

847986-13-4

Molecular Formula

C10H17F2NO4

Molecular Weight

253.24 g/mol

AD

Basic Physical Properties

Boiling Point

311.9±42.0 ℃

CCOC(=O)C(F)(F)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C10H17F2NO4/c1-5-16-7(14)10(11,12)6-13-8(15)17-9(2,3)4/h5-6H2,1-4H3,(H,13,15)

InChIKey

LYQQVOPAOGCYKT-UHFFFAOYSA-N

LogP

1.7095

Topological Polar Surface Area

64.63 Ų

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

287

Synonyms & References

English

  • Ethyl 3-(Boc-amino)-2,2-difluoropropanoate
  • ethyl N-tert-butoxycarbonyl-3-amino-2,2-difluoropropanoate
  • ethyl 3-((tert-butoxycarbonyl)amino)-2,2-difluoropropanoate
  • 6722AJ
  • FCH2899815
  • TRA0061942
  • SY029246
  • Ethyl3-(Boc-amino)-2,2-difluoropropanoate
  • AB0072680
  • ethyl 3-(tert-butoxycarbonylamino)-2,2-difluoro-propanoate

MDL Number

MFCD28014563

FAQ

What are the physical and chemical properties of Ethyl 2,2-difluoro-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoate (CAS: 847986-13-4)?

Ethyl 2,2-difluoro-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoate (CAS: 847986-13-4) is a colorless solid with a crystalline form. The molecular weight is approximately 296.35 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. This compound is reactive towards nucleophiles and can undergo hydrolysis under acidic conditions. It is stable under normal storage conditions but should be stored away from strong acids and bases.

How is Ethyl 2,2-difluoro-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoate (CAS: 847986-13-4) typically synthesized?

Ethyl 2,2-difluoro-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoate can be synthesized via a multi-step reaction sequence involving protective group chemistry and acylation. It typically involves the conversion of a primary alcohol to its corresponding acyl chloride, followed by the formation of the amino ester. The key catalysts used include acid anhydrides or acyl chlorides, and the process often requires mild to moderate heating. The overall yield can range from 50% to 70%.

What industries use Ethyl 2,2-difluoro-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoate (CAS: 847986-13-4)?

Ethyl 2,2-difluoro-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoate (CAS: 847986-13-4) finds application in the pharmaceutical industry, where it is used as a precursor in the synthesis of certain medications. It is also utilized in the polymer industry for the synthesis of functional polymers and in the semiconductor industry for the development of novel materials. Additionally, it has potential uses in the sensor industry for developing chemical sensors.

What precautions should be taken when handling Ethyl 2,2-difluoro-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoate (CAS: 847986-13-4)?

When handling Ethyl 2,2-difluoro-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoate (CAS: 847986-13-4), it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety glasses. This compound should be used in a well-ventilated area or under a fume hood to avoid inhalation. Spills should be cleaned up using appropriate absorbents, and the area should be washed down with water. It is important to keep the compound away from strong acids and bases. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage.

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