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51077-14-6

51077-14-6 Structure

51077-14-6 Structure
IdentificationMore
[Name]

1-Boc-L-azetidine-2-carboxylic acid
[CAS]

51077-14-6
[Synonyms]

1-BOC-L-AZETIDINE-2-CARBOXYLIC ACID
1-BOC-(S)-AZETIDINE-2-CARBOXYLIC ACID
BOC-AZE(2)-OH
BOC-AZETIDINE-2-CARBOXYLIC ACID
BOC-L-AZETIDINE-2-CARBOXYLIC ACID
BOC-(S)-AZETIDINE-2-CARBOXYLIC ACID
N-ALPHA-T-BOC-L-AZETIDINE-2-CARBOXYLIC ACID
N-ALPHA-T-BUTOXYCARBONYL-L-AZETIDINE-2-CARBOXYLIC ACID
N-(TERT BUTOCARBONYL)-L-AZETIDINE-2-CARBOXYLIC ACID
N-(TERT-BUTOXYCARBONY)-L-AZETIDINE-2-CARBOXYLIC ACID
RARECHEM EM WB 0077
(S)-N-BOC-AZETIDINE-2-CARBOXYLIC ACID
(S)-N-BOC-AZETIDINE CARBOXYLIC ACID
(S)-N-TERT-BUTOXYCARBONYL-AZETIDINE-2-CARBOXYLIC ACID
Boc-Aze-OH
(S)-1-BOC-AZETIDINE-2-CARBOXYLIC ACID
BOC-L-AZETIDINE-2CARBOXYLIC ACID BOC-L-AZE-OH
1-BOC-L-AZETIDINE-2-CARBOXYLIC ACID 98+%
(S)-Azetidine-1,2-dicarboxylic acid 1-tert-butyl ester
(S)-N-Boc-azetidine-2-carboxylic acid, 95%, ee:98%
[Molecular Formula]

C9H15NO4
[MDL Number]

MFCD01321011
[Molecular Weight]

201.22
[MOL File]

51077-14-6.mol
Chemical PropertiesBack Directory
[Appearance]

white powder
[Melting point ]

105-110 °C
[Boiling point ]

339.14°C (rough estimate)
[density ]

1.2250 (rough estimate)
[refractive index ]

1.4640 (estimate)
[storage temp. ]

Store at-15°C
[solubility ]

Dichloromethane, DMSO, Ethyl Acetate, Methanol
[form ]

Solid
[pka]

4.01±0.20(Predicted)
[color ]

White
[Optical Rotation]

[α]/D -120.0±2.0°, c = 1 in methanol
[Major Application]

peptide synthesis
[InChI]

InChI=1S/C9H15NO4/c1-9(2,3)14-8(13)10-5-4-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)/t6-/m0/s1
[InChIKey]

JWJVSDZKYYXDDN-LURJTMIESA-N
[SMILES]

N1(C(OC(C)(C)C)=O)CC[C@H]1C(O)=O
[CAS DataBase Reference]

51077-14-6(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

white powder
[Uses]

Protected Azetidine derivative.
[reaction suitability]

reaction type: Boc solid-phase peptide synthesis
[Synthesis]

Di-tert-butyl dicarbonate

24424-99-5

(S)-(-)-2-Azetidinecarboxylic acid

2133-34-8

1-Boc-L-azetidine-2-carboxylic acid

51077-14-6

The general procedure for the synthesis of 1-Boc-L-acridine-2-carboxylic acid from di-tert-butyl dicarbonate and (S)-2-carboxycyclobutanamine was as follows:Example 15: (S)-1-(tert-butoxycarbonyl)azetidine-2-carboxylic acid (13). NaOH (420 mg, 10.5 mmol) was slowly added to a mixed solution of ethanol (20 mL) and water (10 mL) of (S)-2-azetidinecarboxylic acid 12 (1.0 g, 10.0 mmol) and di-tert-butyl dicarbonate (2.83 g, 12.5 mmol) at 0 °C. The reaction mixture was stirred at room temperature overnight. Upon completion of the reaction, the ethanol was removed by evaporation and diluted by adding water (20 mL), followed by adjusting the pH with dilute HCl to 3. Extraction was carried out with ethyl acetate (50 mL x 3) and the organic phases were combined. The organic phase was washed sequentially with water (30 mL) and saturated NaCl solution (30 mL) and then dried with Na2SO4. Evaporation to remove the ethyl acetate gave 1.98 g (100% yield) of target product 13 as a white solid.1H NMR (300 MHz, CDCl3) δ 4.79 (m, 1H), 3.93 (m, 2H), 2.46 (m, 2H), 1.48 (s, 9H).

[References]

[1] Journal of Medicinal Chemistry, 2005, vol. 48, # 24, p. 7637 - 7647
[2] Patent: US2009/68105, 2009, A1. Location in patent: Page/Page column 11
[3] Chemical Communications, 2016, vol. 52, # 7, p. 1354 - 1357
[4] Journal of Labelled Compounds and Radiopharmaceuticals, 1998, vol. 41, # 5, p. 451 - 463
[5] Journal of Medicinal Chemistry, 1999, vol. 42, # 12, p. 2251 - 2259
Spectrum DetailBack Directory
[Spectrum Detail]

1-Boc-L-azetidine-2-carboxylic acid(51077-14-6)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

(S)-N-BOC-Azetidine-2-carboxylic acid, 98% ee, 95%(51077-14-6)
[Sigma Aldrich]

51077-14-6(sigmaaldrich)
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