(R)-4-벤질-2-옥스아조리디논

(R)-4-Benzyl-2-oxazolidinone

HCID 2734969CAS 102029-44-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C1N[C@H](Cc2ccccc2)CO1
InChIKey: OJOFMLDBXPDXLQ-SECBINFHSA-N
분자식: C10H11NO2
평균 분자량: 177.2 g/mol
단동위원소 질량: 177.07897859

개요

See also: (S)-4-Benzyl-2-oxazolidinone (annotation moved to).

이름 및 식별자

우선 이름: (R)-4-Benzyl-2-oxazolidinone
IUPAC: (4R)-4-benzyl-1,3-oxazolidin-2-one
현지명: (R)-4-벤질-2-옥스아조리디논
영어명: (R)-4-Benzyl-2-oxazolidinone
분자식: C10H11NO2
분자량: 177.2

이름 및 동의어

(R)-4-Benzyl-2-oxazolidinone(R)-(+)-4-Benzyl-2-oxazolidinone2-Oxazolidinone, 4-(phenylmethyl)-, (4R)-DTXSID60370594RefChem:407325DTXCID20321628102029-44-7(r)-4-benzyloxazolidin-2-one(4R)-4-benzyl-1,3-oxazolidin-2-oneMFCD00010846(+)-4-benzyl-2-oxazolidinone(4r)-4-(phenylmethyl)-1,3-oxazolidin-2-one

이름 더 보기

(R)-4-벤질-2-옥스아조리디논(R)-4-(PHENYLMETHYL)-2-OXAZOLIDINONER-BOZRBOX(4R)-4-BENZYLOXAZOLIDIN-2-ONE4-benzyl-2-0xazolidinone(4R)-Phenylmethyl-2-oxazolidinoneMLS00TB-2044

(r)-(-)-4-benzyl-2-oxazolidinone(4r)-4-(phenylmethyl)-2-oxazolidinone4-Benzyl-1,3-oxazolidin-2-one #(R)-4-benzyl-oxazolidin-2-oneNetarsudil Impurity 7r-4-benzyl-2-oxazolidinoneMLS0012428024(R)-benzyl-2-oxazolidinone

데이터베이스 식별자

CAS: 102029-44-7
PubChem CID: 2734969
DTXSID: DTXSID60370594
ChEMBL: CHEMBL1366601
UNII: CVS8468YG3
EC Number: 600-264-2
Nikkaji: J462.969H

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 38.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 187

물리화학적 성질

녹는점: 88 · 88-90 °C
끓는 점: 309.12 °C · 309.12°C (rough estimate)
밀도: 1.1607 · 1.1607 (rough estimate)
굴절률: 14.5 ° · 14.5 ° (C=5, MeOH)
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(약간 용해됨)
산도 계수 (pKa): 12.78 · 12.78±0.40(Predicted)
물리적 상태: 결정성 분말
색상: 흰색에서 거의 흰색
수용성: 물에 불용성. 클로로포름에 용해됩니다.
BRN: 4782551 · 4782551
InChI: 1S/C10H11NO2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)/t9-/m1/s1
InChIKey: OJOFMLDBXPDXLQ-SECBINFHSA-N
SMILES: O=C1N[C@@H](CO1)Cc2ccccc2

화학적 성질

white to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information(R)-(+)-4-Benzyl-2-oxazolidinone: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (75%)

안전 데이터

wgk: 3
HS 번호: 29349990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 22-24/25-36-26
F 고인화성물질: 3-10
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

개요(R)-4-Benzyl-2-oxazolidinone is a derivative of oxazolidinone. It can be used in the preparation of enantiopure carbocyclic nucleosides, which act as a HIV protease inhibitor. It can also be used as a chiral auxiliary in the enantioselective synthesis of (2R, 2′S)-erythro-methylphenidate, beta-lactams and alpha-amino acids. Its end product includes asymmetric single isomeric drugs such as antitumor, anesthetic and entipasmodic products.