166023-31-0

Basic information

• Product Name: 1,1-DIMETHYLETHYL (3R)-3-AMINO-4-PHENYLBUTANOATE
• Synonyms: Benzenebutanoic acid, b-aMino-, 1,1-diMethylethyl ester,(bR)-;(R)-tert-Butyl 3-amino-4-phenylbutanoate;1,1-DIMETHYLETHYL (3R)-3-AMINO-4-PHENYLBUTANOATE;TERT-BUTYL (3R)-3-AMINO-4-PHENYLBUTANOATE;T-BUTYL(3R)-3-AMINO-4-PHENYLBUTANOATE;(R)-1,1-DIMETHYLETHYL-3-AMINO 4-PHENYLBUTANOATE;3-Amino-4-phenyl-butyric acid tert-butyl ester;tert-Butyl (3R)-3-amino-4-phenylbutanoate,97%
• CAS NO: 166023-31-0
• Molecular Formula: C₁₄H₂₁NO₂
• Molecular Weight: 235.32
• Product Categories: pharmacetical
• Mol File: 166023-31-0.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 339.5 °C at 760 mmHg
• Flash Point: 187 °C
• Appearance: White or slightly yellow low melting solid
• Density: 1.028 g/cm³
• Vapor Pressure: 9.15E-05mmHg at 25°C
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• PKA: 7.98±0.10(Predicted)
• CAS DataBase Reference: 1,1-DIMETHYLETHYL (3R)-3-AMINO-4-PHENYLBUTANOATE(CAS DataBase Reference)
• NIST Chemistry Reference: 1,1-DIMETHYLETHYL (3R)-3-AMINO-4-PHENYLBUTANOATE(166023-31-0)
• EPA Substance Registry System: 1,1-DIMETHYLETHYL (3R)-3-AMINO-4-PHENYLBUTANOATE(166023-31-0)

Safety Data

• Safety Statements: 24/25
• Hazardous Substances Data: 166023-31-0(Hazardous Substances Data)

Usage

InChI:InChI=1/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/p+1/t12-/m0/s1

Upstream product

• 74965-87-0 2,2-dimethyl-5-(2-phenylacetyl)-1,3-dioxane-4,6-dione 
• 103-82-2 phenylacetic acid 
• 87512-35-4 tert-butyl 3-amino-4-phenylbut-2-enoate 

Relevant articles and documents

Chiral Lewis Base-Catalyzed, Enantioselective Reduction of Unprotected β-Enamino Esters with Trichlorosilane

Catalytic asymmetric reduction of N-unsubstituted β-enamino esters represents a major challenge for asymmetric catalysis. In this paper, the first organocatalytic system that could be used for the asymmetric hydrosilylation of N-unsubstituted β-enamino esters has been developed. Using N-tert-butylsulfinyl-L-proline-derived amides and L-pipecolinic acid-derived formamides as catalyst, a broad range of β-aryl- and β-alkyl-substituted free β-amino esters could be prepared with high yields and enantioselectivities. The practicality was illustrated by the gram-scale asymmetric synthesis of ethyl (R)-3-amino-3-phenylpropanoate and isopropyl (S)-3-amino-4-(2,3,5-trifluorophenyl)butanoate. The resulting product can be smoothly transformed to the FDA approved medicines dapoxetine and sitagliptin in a short synthetic route.