ChemicalBook--->CAS DataBase List--->97628-92-7

97628-92-7

97628-92-7 Structure

97628-92-7 Structure
IdentificationBack Directory
[Name]

1-(BENZYLOXYCARBONYL) AZETIDINE-3-CARBOXYLIC ACID
[CAS]

97628-92-7
[Synonyms]

1-Cbz-azetidine-3-carboxy...
Cbz-3-Azetidinecarboxylic acid
CBZ-AZETIDINE-3-CARBOXYLIC ACID
1-Cbz-azetidine-3-carboxylic acid
N-Cbz-azetidine-3-carboxylic acid
N-Carbobenzyloxyazetidine-3-carboxylic acid
Azetidine-1,3-dicarboxylic acid 1-benzyl ester
1-benzyloxycarbonyl-3-azetidinecarboxylic acid
1-(BENZYLOXYCARBONYL) AZETIDINE-3-CARBOXYLIC ACID
1-phenylmethoxycarbonylazetidine-3-carboxylic acid
N-(Benzyloxycarbonyl)azetidine-3-carboxylic acid, 95%
1,3-Azetidinedicarboxylic acid, 1-(phenylmethyl) ester
1-(BENZYLOXYCARBONYL) AZETIDINE-3-CARBOXYLIC ACID ISO 9001:2015 REACH
[Molecular Formula]

C12H13NO4
[MDL Number]

MFCD09027504
[MOL File]

97628-92-7.mol
[Molecular Weight]

235.236
Chemical PropertiesBack Directory
[Boiling point ]

421.2±45.0 °C(Predicted)
[density ]

1.362
[storage temp. ]

2-8°C
[form ]

Solid
[pka]

4.19±0.20(Predicted)
[color ]

White to off-white
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[HazardClass ]

IRRITANT
[HS Code ]

2933998090
Hazard InformationBack Directory
[Uses]

1-Cbz-azetidine-3-carboxylic acid is a non-cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs). 1-Cbz-azetidine-3-carboxylic acid is also a alkyl chain-based PROTAC linker that can be used in the synthesis of PROTACs[1]
[Synthesis]

3-Azetidinecarboxylic acid

36476-78-5

Benzyl chloroformate

501-53-1

1-(BENZYLOXYCARBONYL) AZETIDINE-3-CARBOXYLIC ACID

97628-92-7

General procedure for the synthesis of 1-(benzyloxycarbonyl)azetidine-3-carboxylic acid from 3-acridinecarboxylic acid and benzyl chloroformate: 3-acridinecarboxylic acid (4.0 g, 39.6 mmol) was dissolved in a 1 N sodium hydroxide solution (40 mL) and the solution was cooled to 0 °C. Under stirring, benzyl chloroformate (5.9 mL, 41 mmol) was slowly added, followed by dropwise addition of additional 1 N sodium hydroxide solution (41 mL). The reaction mixture was stirred vigorously at 0 °C for 16 hours. Upon completion of the reaction, the mixture was acidified to a pH of about 2-3 with 2 N hydrochloric acid.The acidified suspension was extracted with dichloromethane (2 x 100 mL) and the organic layers were combined and dried with anhydrous magnesium sulfate. After filtration, the organic phase was concentrated under reduced pressure to afford the white solid product 1-(benzyloxycarbonyl)azetidine-3-carboxylic acid (9.3 g, 39.6 mmol, 100% yield). The structure of the product was confirmed by 1H NMR (400 MHz, CDCl3): δ 7.37-7.29 (5H, m, Ar-H), 5.10 (2H, s, CH2Ph), 4.21 (4H, d, J = 7.5 Hz, NCH2), 3.43 (1H, quintuple peak, J = 7.5 Hz, CH).

[IC 50]

Non-cleavable Linker
[References]

[1] Beck A, et al. Strategies and challenges for the next generation of antibody-drug conjugates. Nat Rev Drug Discov. 2017;16(5):315-337. DOI:10.1038/nrd.2016.268
[2] Nalawansha DA, et al. PROTACs: An Emerging Therapeutic Modality in Precision Medicine. Cell Chem Biol. 2020;27(8):998-985. DOI:10.7554/eLife.57277
Spectrum DetailBack Directory
[Spectrum Detail]

1-(BENZYLOXYCARBONYL) AZETIDINE-3-CARBOXYLIC ACID(97628-92-7)1HNMR
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