2-Oxazolidinone, 4-phenyl-, (4S)-

HCID 730424CAS 99395-88-7

기본 정보

표준 SMILES: O=C1N[C@@H](c2ccccc2)CO1
InChIKey: QDMNNMIOWVJVLY-MRVPVSSYSA-N
분자식: C9H9NO2
평균 분자량: 163.17 g/mol
단동위원소 질량: 163.06332853

이름 및 식별자

우선 이름: 2-Oxazolidinone, 4-phenyl-, (4S)-
IUPAC: (4S)-4-phenyl-1,3-oxazolidin-2-one
영어명: (S)-(+)-4-Phenyl-2-oxazolidinone
분자식: C9H9NO2
분자량: 163.17

이름 및 동의어

99395-88-7(S)-(+)-4-Phenyl-2-oxazolidinone(4S)-4-phenyloxazolidin-2-one2-Oxazolidinone, 4-phenyl-, (4S)-(S)-Poz(4S)-4-phenyl-2-oxazolidinoneDJ3K4V6J29(+)-4-phenyl-2-oxazolidinone2-Oxazolidinone, 4-phenyl-, (S)-RefChem:477433(S)-4-Phenyloxazolidin-2-one(s)-4-phenyl-2-oxazolidinone

이름 더 보기

S-POZS-POAS-4-PHENYL-OXAZOLIDIN-2-ONE(S)-4-Phenyl-2-0xazolidinoneSPOXARBA-035Ezetimide Inter.

(4S)-4-phenyl-1,3-oxazolidin-2-one86217-38-1MFCD00043396(S)-4-phenyloxazolidinoneSCHEMBL4562(S)-4-Phenyl-oxazolidin-2-onDTXSID10912726CS-0031471

데이터베이스 식별자

CAS: 99395-88-7
PubChem CID: 730424
DTXSID: DTXSID10912726
UNII: DJ3K4V6J29
EC Number: 619-429-5
Nikkaji: J616.889B

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 38.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 175

물리화학적 성질

녹는점: 129 · 129-132 °C(lit.)
끓는 점: 290.25 °C · 290.25°C (rough estimate)
밀도: 1.2021 · 1.2021 (rough estimate)
굴절률: 72 ° · 72 ° (C=1, AcOEt)
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 12.05 · 12.05±0.40(Predicted)
물리적 상태: 결정성 분말
색상: 하얀색
BRN: 131918 · 131918
InChI: InChI=1S/C9H9NO2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)/t8-/m1/s1
InChIKey: QDMNNMIOWVJVLY-MRVPVSSYSA-N
SMILES: O1C[C@H](C2=CC=CC=C2)NC1=O

화학적 성질

white to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (84.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 13 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (84.6%)

안전 데이터

wgk: 3
HS 번호: 29349990
risk_code: 12-36
hazard_code: Xi,F+
safety_code: 24/25-33-26-16-7/9
F 고인화성물질: 3-9
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도S)-4-Phenyl-2-oxazolidinone is an intermediate for the synthesis and development for cholesterol absorption inhibitor AZD4121.

상·하류 제품 정보

상류 원료

L-Proline, 3-methyl-5-oxo-, (3S)-(R,E)-3-(But-2-enoyl)-4-phenyloxazolidin-2-one BOC-L-Phenylglycinol oxyma L-Phenylglycine (S)-(+)-2-Phenylglycinol D-Phenylglycinol

하류 제품

(R)-(-)-4-페닐-2-옥사졸리디논 (S)-4-페닐-1,3-옥사졸리딘-2-티온 (4S)-3-[5-(4-Fluorophenyl)-1,5-dioxopenyl]-4-phenyl-2-oxazolidinone (R)-(-)-2-페닐프로피온산

공급사50 곳

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

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

江苏万年长药业有限公司13404202780

연결된 노트

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