2-Methyl-2-propanyl (3S)-3-amino-4-phenylbutanoate | CAS No. 120686-17-1

2-Methyl-2-propanyl (3S)-3-amino-4-phenylbutanoate

Basic Information

CAS Number

120686-17-1

Molecular Formula

C14H21NO2

Molecular Weight

235.33 g/mol

AD

Basic Physical Properties

CC(C)(C)OC(=O)CC(CC1=CC=CC=C1)N

InChI

InChI=1S/C14H21NO2/c1-14(2,3)17-13(16)10-12(15)9-11-7-5-4-6-8-11/h4-8,12H,9-10,15H2,1-3H3/t12-/m0/s1

InChIKey

ZIJHIHDFXCNFAA-LBPRGKRZSA-N

LogP

2.2882

Topological Polar Surface Area

52.32 Ų

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

239

Synonyms & References

English

  • MFCD00798308
  • SCHEMBL901961
  • ZIJHIHDFXCNFAA-LBPRGKRZSA-N
  • (S)-tert-Butyl3-amino-4-phenylbutanoate
  • VEA68617
  • A804559
  • 1,1-Dimethylethyl (3S)-3-amino-4-phenylbutanoate
  • AKOS016011077
  • 2-(1-amino-2-phenyl-ethyl)-3,3-dimethyl-butanoate
  • tert-butyl (3S)-3-amino-4-phenylbutanoate
  • CS-0272761
  • t-Butyl(3S)-3-amino-4-phenylbutanoate
  • Benzenebutanoic acid,b-amino-,1,1-dimethylethyl ester,(bs)-
  • EN300-841170
  • AS-39938
  • 120686-17-1
  • tert-Butyl (S)-3-Amino-4-phenylbutanoate
  • (S)-tert-Butyl 3-amino-4-phenylbutanoate
  • tert-Butyl (3S)-3-amino-4-phenyl-butanoate
  • (S)-3-amino-4-phenyl-butyric acid tert-butyl ester
  • Benzenebutanoic acid, b-amino-, 1,1-dimethylethyl ester,(bS)-
  • T-BUTYL(3R)-3-AMINO-4-PHENYLBUTANOATE
  • ADENOSINE 3'-PHOSPHATE 5'-PHOSPHOSULFATE, PIPERIDINE
  • TERT-BUTYL (3S)-3-AMINO-4-PHENYLBUTANOATE
  • T-BUTYL(3S)-3-AMINO-4-PHENYLBUTANOATE
  • (S)-1,1-DIMETHYLETHYL-3-AMINO 4-PHENYLBUTANOATE
  • 1,1-DIMETHYLETHYL (3S)-3-AMINO-4-PHENYLBUTANOATE
  • tert-Butyl (3S)-3-amino-4-phenylbutanoate,97%

MDL Number

MFCD00798308

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl (3S)-3-amino-4-phenylbutanoate (CAS: 120686-17-1)?

2-Methyl-2-propanyl (3S)-3-amino-4-phenylbutanoate is a white crystalline solid with a molecular weight of approximately 264.34 g/mol. It is slightly soluble in water and has a pKa of around 8.5. This compound is known for its high reactivity, particularly in nucleophilic substitution reactions and amidation processes.

How is 2-Methyl-2-propanyl (3S)-3-amino-4-phenylbutanoate (CAS: 120686-17-1) typically synthesized?

2-Methyl-2-propanyl (3S)-3-amino-4-phenylbutanoate is typically synthesized via a multistep process involving the protection of a carboxylic acid, followed by coupling with a phenylamine, and subsequent deprotection. Commonly used reagents include tert-butyldimethylsilyl chloride and trifluoroacetic acid. The yield is generally around 70-80%, with high regioselectivity for the desired stereoisomer.

What industries use 2-Methyl-2-propanyl (3S)-3-amino-4-phenylbutanoate (CAS: 120686-17-1)?

2-Methyl-2-propanyl (3S)-3-amino-4-phenylbutanoate finds applications in the pharmaceutical industry for the synthesis of complex molecules and as a precursor in the development of new drugs. It is also used in the production of certain polymers and as a chiral building block in the organic synthesis of optically active compounds.

What precautions should be taken when handling 2-Methyl-2-propanyl (3S)-3-amino-4-phenylbutanoate (CAS: 120686-17-1)?

When handling 2-Methyl-2-propanyl (3S)-3-amino-4-phenylbutanoate, it is recommended to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight and flammable materials. In case of spills, avoid inhalation of dust and contact with skin or eyes. Always refer to the safety data sheet (SDS) for detailed emergency procedures and safe handling practices.

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