N-Boc-1-aminocyclobutanecarboxylic acid Chemical Properties

Melting point:

129-133 °C(lit.)

Boiling point:

362.1±21.0 °C(Predicted)

Density 

1.18±0.1 g/cm3(Predicted)

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

solubility 

soluble in Methanol

pka

4.14±0.20(Predicted)

form 

Powder

color 

White to light brown

BRN 

7994003

InChI

InChI=1S/C10H17NO4/c1-9(2,3)15-8(14)11-10(7(12)13)5-4-6-10/h4-6H2,1-3H3,(H,11,14)(H,12,13)

InChIKey

ROVVUKFHORPDSM-UHFFFAOYSA-N

SMILES

C1(NC(OC(C)(C)C)=O)(C(O)=O)CCC1

CAS DataBase Reference

120728-10-1(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xn

Risk Statements 

22

Safety Statements 

36

WGK Germany 

3

HazardClass 

IRRITANT

HS Code 

29242990

MSDS

• Language:English Provider:SigmaAldrich

N-Boc-1-aminocyclobutanecarboxylic acid Usage And Synthesis

Description

N-Boc-1-aminocyclobutanecarboxylic acid (1-((tert-Butoxycarbonyl)amino)cyclobutanecarboxylic acid) is an organic compound used in the preparation of intermediates for Boc-apalutamide. Apalutamide is a prescription drug used to treat prostate cancer.

Uses

Boc-1-aminocyclobutane-1-carboxylic Acid is used in the synthesis of dipeptidyl nitriles with cathepsin-inhibiting activities. It is also used to prepare alkyl-oxo-aryl amides as novel antagonists of TRPA1 receptor.

Synthesis

Under stirring, add 1-aminocyclobutylcarboxylic acid (500mg, 4.34mmol) to 10mL of 0.5M sodium hydroxide solution, and add 10mL of 1,4-dioxane and di-tert-butyl dicarbonate (1.42g, 6.51 mmol), react for 15 hours. Extract with diethyl ether (20 mL × 2), add hydrochloric acid dropwise until the pH of the aqueous phase is 4, and extract with ethyl acetate (30 mL × 3). The organic phases were then combined, washed with saturated sodium chloride solution (20mL×2), dried over anhydrous sodium sulfate, filtered, and the filtrate was concentrated under reduced pressure to obtain the product N-Boc-1-aminocyclobutanecarboxylic acid (750mg, white solid), yield:80.6%.

N-Boc-1-aminocyclobutanecarboxylic acid(120728-10-1)Related Product Information

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