기본 정보
- CAS
201856-57-7- 표준 SMILES
CCOC(C)O[C@H]1C(=O)N(C(=O)OC(C)(C)C)[C@H]1c1ccccc1- InChIKey
CZTZICYNMYGUNU-JQXSQYPDSA-N- 분자식
- C18H25NO5
- 평균 분자량
- 335.4 g/mol
- 단동위원소 질량
- 335.1732729
이름 및 식별자
- 우선 이름
- (3R,4S)-Tert-butyl 3-(1-ethoxyethoxy)-2-oxo-4-phenylazetidine-1-carboxylate
- IUPAC
- tert-butyl (3R,4S)-3-(1-ethoxyethoxy)-2-oxo-4-phenylazetidine-1-carboxylate
- 영어명
- (3R,4S)-tert-Butyl 3-(1-ethoxyethoxy)-2-oxo-4-phenylazetidine-1-carboxylate
- 분자식
- C18H25NO5
- 분자량
- 335.39
이름 및 동의어
201856-57-7(3R,4S)-TERT-BUTYL 3-(1-ETHOXYETHOXY)-2-OXO-4-PHENYLAZETIDINE-1-CARBOXYLATEtert-Butyl (3R,4S)-3-(1-ethoxyethoxy)-2-oxo-4-phenylazetidine-1-carboxylateDocetaxel Impurity 54(3R,4S)-3-(1-Ethoxyethoxy)-2-oxo-4-phenyl-1-azetidinecarboxylic Acid 1,1-DiMethylethyl EsterSCHEMBL3784269DTXSID10432979AKOS016003591AC-9030CS-0449643S10599(3R,4S)-tert-Butyl3-(1-ethoxyethoxy)-2-oxo-4-phenylazetidine-1-carboxylate
이름 더 보기
(3R,4S)-3-(1-ethoxyethoxy)-4-phenyl-N-Boc-2-azetidinoneDocetaxel Impurity 48Docetaxel Intermediate ISIDE CHAINS OF DOCETAXEL--1(3R,4S)-tert-Butyl 3-(1-ethoxyethoxy)-2-oxo-4-phenylazetidin...(3R,4S)-1-t-butoxycarbonyl-3-(2-ethoxyethoxyl)-4-phenyl-2-azetidinone(3R,4S)-1-T-BUTOXYCARBONYL-3-(2-ETHOXYETHOXYL)-4-PHENYL-2-AZETIDINONE,98+%(3R, 4S) -1-tert butoxycarbonyl-3- (2-ethoxyethoxy) -4-phenyl-2-propanolam
1-Azetidinecarboxylic acid, 3-(1-ethoxyethoxy)-2-oxo-4-phenyl-, 1,1-dimethylethyl ester, (3R,4S)-1-Azetidinecarboxylic acid, 3-(1-ethoxyethoxy)-2-oxo-4-phenyl-, 1,1-dimethylethyl ester, (3R,4S)-; 1-Azetidinecarboxylic acid, 3-(1-ethoxyethoxy)-2-oxo-4-phenyl-, 1,1-dimethylethyl ester, [3R-(3a,4a)]-[partial]-
데이터베이스 식별자
- CAS
201856-57-7- PubChem CID
- 9927699
- DTXSID
DTXSID10432979
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 65.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 453
물리화학적 성질
- 끓는 점
- 459.6 · 459.6±45.0 °C(Predicted)
- 밀도
- 1.16 · 1.16
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- -4.97 · -4.97±0.60(Predicted)
화학 및 산업
응용 분야
용도(3R,4S)-3-(1-Ethoxyethoxy)-2-oxo-4-phenyl-1-azetidinecarboxylic acid 1,1-Dimethylethyl ester is used as a reagent in the synthesis of abeo-taxane derivatives that possess broad inhibitory effects against proliferation of colon cancer, melanoma, and renal cancer cell lines. (3R,4S)-3-(1-Ethoxyethoxy)-2-oxo-4-phenyl-1-azetidinecarboxylic acid 1,1-Dimethylethyl ester is also used as a reagent in the synthesis of a novel D-ring modified Docetaxel (D494420) analogue which has proven to have equipotent cytotoxicity in relation to Paclitaxel (P132500) towards cancer cell lines.
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