4-아세톡시-2-아제티디논

4-Acetoxy-2-azetidinone

HCID 119981CAS 28562-53-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)OC1CC(=O)N1
InChIKey: OEYMQQDJCUHKQS-UHFFFAOYSA-N
분자식: C5H7NO3
평균 분자량: 129.11 g/mol
단동위원소 질량: 129.04259309

이름 및 식별자

우선 이름: 4-Acetoxy-2-azetidinone
IUPAC: (4-oxoazetidin-2-yl) acetate
현지명: 4-아세톡시-2-아제티디논
영어명: 4-Acetoxy-2-azetidinone
분자식: C5H7NO3
분자량: 129.11

이름 및 동의어

4-Acetoxy-2-azetidinone28562-53-02-Oxoazetidinium 4-acetateRefChem:477770249-083-74-oxoazetidin-2-yl acetate2-Azetidinone, 4-(acetyloxy)-(4-oxoazetidin-2-yl) acetateMFCD000105934-acetoxyazetidinone4-acetoxyazetidin-2-one4-Oxo-2-azetidinyl acetate

이름 더 보기

4-아세톡시-2-아제티디논3-Acetoxy-3-propanelactam4-Acetyloxyazetidin-2-one4-OXOAZETIDIN-2-YLACETATE4-ACETOXY-2-AZETIDINONE(4-AA)4-Acetoxy-2-azetidinone - [A15221]Acetic acid 4-oxo-2-azetidinyl ester

4-Hydroxy-2,3-dihydroazet-2-yl acetateEINECS 249-083-74-acetoxy-azetidinone4-acetoxyazetidine-2-one4-Oxo-2-azetidinyl acetate #CHEMBL122408SCHEMBL1220023SCHEMBL5405424

데이터베이스 식별자

CAS: 28562-53-0
PubChem CID: 119981
ChEMBL: CHEMBL122408
EC Number: 249-083-7
Nikkaji: J250.737D

물성

구조 계산 물성

XLogP: -0.3
극성 표면적: 55.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 154

물리화학적 성질

녹는점: 38 · 38-40 °C (lit.)
끓는 점: 239.15 °C · 239.15°C (rough estimate)
밀도: 1.3816 · 1.3816 (rough estimate)
굴절률: 1.422 · 1.4220 (estimate)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
용해도: 50 mg/mL, · 포름산: 용해성50mg/mL, 투명, 노란색-주황색
산도 계수 (pKa): 13.41 · 13.41±0.40(Predicted)
물리적 상태: solid
BRN: 1524738 · 1524738
InChI: InChI=1S/C5H7NO3/c1-3(7)9-5-2-4(8)6-5/h5H,2H2,1H3,(H,6,8)
InChIKey: OEYMQQDJCUHKQS-UHFFFAOYSA-N
SMILES: N1C(OC(C)=O)CC1=O
NIST: 4 · 4-Acetoxy-2-azetidinone(28562-53-0)

화학적 성질

White crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H334 (97.6%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

P233, P260, P264, P271, P280, P284, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P342+P316, P363, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)；Resp. Sens. 1 (97.6%)

안전 데이터

wgk: 3
ridadr: UN 1759 8/PG 2
risk_code: 34-43
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
Hazard Classifications: Resp. Sens. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도4-Acetoxy-2-azetidinone was used in the synthesis of derivatized cyclopentenes in high regio- and diastereoselectivity. It was also used as a heterocyclic synthon for antibiotic and anti-inflammatory agents.

상·하류 제품 정보

상류 원료

2-Azetidinone, 4-(acetyloxy)-1-(4-methoxyphenyl)-(S)-(-)-4-옥소-2-아제티딘카르복실산 4-옥소아제티딘-2-카르복실산 2-아제티디논 1-Azetidinesulfonyl chloride, 2-(acetyloxy)-4-oxo-아세트산 나트륨 클로로설포닐이소시아네이트 초산비닐모노머 과산화아세트산 아세트산(빙초산)

공급사50 곳

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

연결된 노트

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