(3S)-3-Amino-4-[(2-methyl-2-propanyl)oxy]-4-oxobutanoic acid | CAS No. 4125-93-3

(3S)-3-Amino-4-[(2-methyl-2-propanyl)oxy]-4-oxobutanoic acid

Basic Information

CAS Number

4125-93-3

Molecular Formula

C8H15NO4

Molecular Weight

189.21 g/mol

AD

Basic Physical Properties

Boiling Point

297.8℃ at 760 mmHg

CC(C)(C)OC(=O)C(CC(=O)O)N

InChI

InChI=1S/C8H15NO4/c1-8(2,3)13-7(12)5(9)4-6(10)11/h5H,4,9H2,1-3H3,(H,10,11)/t5-/m0/s1

InChIKey

PUWCNJZIFKBDJQ-YFKPBYRVSA-N

LogP

0.13009999999999966

Topological Polar Surface Area

89.62 Ų

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

207

Synonyms & References

English

  • D-Aspartic Acid 1-(1,1-Dimethylethyl) Ester
  • A-tert.butyl ester
  • AS-17654
  • CS-W006400
  • (S)-2-Amino-succinic acid 1-tert-butyl ester
  • AM81597
  • HY-W006400
  • 4125-93-3
  • aspartic acid t-butyl ester
  • L-Aspartic acid a-tert-butyl ester
  • AC-19185
  • L-Aspartic acid alpha-tert-butyl ester
  • AKOS016842887
  • EN300-2010109
  • H-L-Asp-OtBu
  • (S)-3-Amino-4-(tert-butoxy)-4-oxobutanoic acid
  • L-Aspartic Acid tert-Butyl Ester
  • MFCD00171675
  • (3S)-3-AMINO-4-(TERT-BUTOXY)-4-OXOBUTANOIC ACID
  • (S)-3-amino-4-tert-butoxy-4-oxobutanoic acid
  • L-Aspartic acid
  • (3S)-3-Amino-4-tert-butoxy-4-oxobutanoic acid, AldrichCPR
  • SCHEMBL375959
  • PUWCNJZIFKBDJQ-YFKPBYRVSA-N
  • H-Asp-OtBu
  • F16420
  • L-Aspartic acid 1-tert-butyl ester
  • (S)-3-Amino-4-tert-butoxy-4-oxobutanoic acid
  • L-Aspartic acid α-tert-butyl ester
  • (3S)-3-amino-4-tert-butoxy-4-oxobutanoic acid
  • (S)-2,6-Diaminohexanoic acid compound with (S)-2-aminosuccinic acid (1:1)

MDL Number

MFCD00171675

FAQ

What are the physical and chemical properties of (3S)-3-Amino-4-[(2-methyl-2-propanyl)oxy]-4-oxobutanoic acid (CAS: 4125-93-3)?

(3S)-3-Amino-4-[(2-methyl-2-propanyl)oxy]-4-oxobutanoic acid is a white crystalline solid with a molecular weight of approximately 210.32 g/mol. It is slightly soluble in water and has a pKa of around 4.3. This compound is reactive towards nucleophiles and can undergo various chemical transformations such as esterification and amidation. It is also prone to hydrolysis under basic conditions.

How is (3S)-3-Amino-4-[(2-methyl-2-propanyl)oxy]-4-oxobutanoic acid (CAS: 4125-93-3) typically synthesized?

(3S)-3-Amino-4-[(2-methyl-2-propanyl)oxy]-4-oxobutanoic acid is synthesized through a multi-step process involving the protection of the amino group, introduction of the oxybutyl moiety, and subsequent removal of the protecting group. Commonly, the synthesis involves protecting the amino group with a trifluoroacetyl (TFA) or an acetyl group, followed by the introduction of the oxybutyl moiety via a SnAr reaction. The protecting group is then removed to yield the final product.

What industries use (3S)-3-Amino-4-[(2-methyl-2-propanyl)oxy]-4-oxobutanoic acid (CAS: 4125-93-3)?

(3S)-3-Amino-4-[(2-methyl-2-propanyl)oxy]-4-oxobutanoic acid finds applications in the pharmaceutical industry, particularly in the development of drug candidates targeting specific enzymes and receptors. It is also used in the polymer industry for the synthesis of functional polymers, and in the sensor industry for the development of biosensors and chemosensors. Additionally, it has potential applications in the semiconductor industry for the formation of metal-organic frameworks.

What precautions should be taken when handling (3S)-3-Amino-4-[(2-methyl-2-propanyl)oxy]-4-oxobutanoic acid (CAS: 4125-93-3)?

When handling (3S)-3-Amino-4-[(2-methyl-2-propanyl)oxy]-4-oxobutanoic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The compound should be handled in a fume hood to minimize exposure to air and reduce inhalation risks. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. It is advisable to consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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