| Identification | More | [Name]
N-Boc-1-aminocyclobutanecarboxylic acid | [CAS]
120728-10-1 | [Synonyms]
1-AMINOCYCLOBUTYL-1-CARBOXYLIC ACID, N-BOC PROTECTED
1-(BOC-AMINO)CYCLOBUTANECARBOXYLIC ACID
1-N-BOC-AMINO-CYCLOBUTANE CARBOXYLIC ACID
1-(T-BUTYLOXYCARBONYL-AMINO)-CYCLOBUTYL-1-CARBOXYLIC ACID
1-TERT-BUTOXYCARBONYLAMINO-CYCLOBUTANECARBOXYLIC ACID
1-(TERT-BUTYLOXYCARBONYL-AMINO)-CYCLOBUTYL-1-CARBOXYLIC ACID
BOC-1, 1-ACCB
BOC-1-AMINO-1-CYCLOBUTANECARBOXYLIC ACID
BOC-1-AMINOCYCLOBUTANE-1-CARBOXYLIC ACID
BOC-AC4C-OH
BOC-ACBC-OH
BOC-CYCLOVALINE
N-BOC-1-AMINOCYCLOBUTANE CARBOXYLIC ACID
Boc-1-Aminocyclobutanecarboxylic acid
N-BOC-1-AMINOCYCLOBUTYL-1-CARBOXYLIC ACID
Boc-1-aminocyclobutanecarboxylic acid-OH
1-(Boc-amino)cyclobutanecarboxylic acid, Boc-cyclovaline | [Molecular Formula]
C10H17NO4 | [MDL Number]
MFCD02682623 | [Molecular Weight]
215.25 | [MOL File]
120728-10-1.mol |
| Chemical Properties | Back Directory | [Melting point ]
129-133 °C(lit.)
| [Boiling point ]
362.1±21.0 °C(Predicted) | [density ]
1.18±0.1 g/cm3(Predicted) | [storage temp. ]
2-8°C
| [solubility ]
soluble in Methanol | [form ]
Powder | [pka]
4.14±0.20(Predicted) | [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 Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R22:Harmful if swallowed. | [Safety Statements ]
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [HazardClass ]
IRRITANT | [HS Code ]
29242990 |
| Hazard Information | Back Directory | [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. | [reaction suitability]
reaction type: Boc solid-phase peptide synthesis | [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%.
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