(4R,5S)-4-Methyl-5-phenyl-3-propionyl-2-oxazolidinone

HCID 853442

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 77877-20-4
표준 SMILES: CCC(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C
InChIKey: ZMRFZBKROHCLIL-BXKDBHETSA-N
분자식: C13H15NO3
평균 분자량: 233.26 g/mol
단동위원소 질량: 233.10519334

이름 및 식별자

우선 이름: (4R,5S)-4-Methyl-5-phenyl-3-propionyl-2-oxazolidinone
IUPAC: (4R,5S)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one
영어명: N-PROPIONYL-(4S,5R)-4-METHYL- 5-PHENYL-2-OXAZOLIDINONE
분자식: C13H15NO3
분자량: 233.26

이름 및 동의어

77877-20-4(4R,5S)-4-Methyl-5-phenyl-3-propionyl-2-oxazolidinoneDTXSID80357428RefChem:209195DTXCID50308487MFCD00043400(4R,5S)-4-Methyl-5-phenyl-3-propionyloxazolidin-2-one(4R,5S)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-oneN-PROPIONYL-(4S,5R)-4-METHYL- 5-PHENYL-2-OXAZOLIDINONE2-Oxazolidinone, 4-methyl-3-(1-oxopropyl)-5-phenyl-, (4R,5S)-(4R,5S)-4-Methyl-5-phenyl-3-propanoyl-oxazolidin-2-oneSCHEMBL4189485

이름 더 보기

(4R,5S)-4-Methyl-5-phenyl-3-propionyl-2-oxazolidinone3-Propionyl-4α-methyl-5α-phenyloxazolidine-2-one3-Propanoyl-4α-methyl-5α-phenyloxazolidine-2-one(4R,5S)-4-Methyl-5-phenyl-3-propionyl-2-oxazolidine(4R)-3-Propionyl-4α-methyl-5α-phenyloxazolidine-2-oneN-PROPIONYL-(4R,5S)-4-METHYL- 5-PHENYL-2-OXAZOLIDINONE

ZMRFZBKROHCLIL-BXKDBHETSA-NAKOS017343738AS-31151SY012056DB-075381F386791(4R,5S)-4-Methyl-5-phenyl-3-propionyl-2-oxazolidinone, >=97.0% (sum of enantiomers, GC)

데이터베이스 식별자

CAS: 77877-20-4
PubChem CID: 853442
DTXSID: DTXSID80357428
Nikkaji: J307.951A

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 46.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 310

물리화학적 성질

녹는점: 96 · 96-97 °C
끓는 점: 394.4 · 394.4±31.0 °C(Predicted)
밀도: 1.161 g/mL · 1.161 g/mL at 20 °C(lit.)
굴절률: 20 · n20/D 1.530
인화점: 109 ℃ · 109℃
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -2.8 · -2.80±0.60(Predicted)
InChI: 1S/C13H15NO3/c1-3-11(15)14-9(2)12(17-13(14)16)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3/t9-,12-/m1/s1
InChIKey: ZMRFZBKROHCLIL-BXKDBHETSA-N
SMILES: CCC(=O)N1[C@H](C)[C@@H](OC1=O)c2ccccc2

안전 및 규제

안전 데이터

wgk: 3
safety_code: 23-24/25
F 고인화성물질: 10
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도(4R,5S)-4-Methyl-5-phenyl-3-propionyl-2-oxazolidinone is used as a reactant in the synthesis of Lactimidomycin, a potent translation and cell migration inhibitor.

공급사23 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

成都市久鼎化学技术有限公司18584079237 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

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