(R)-ethyl 4-bromo-2-methyl-2-(methylsulfonyl)butanoate

HCID 86670635

노트 반응

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기본 정보

CAS: 1312478-48-0
표준 SMILES: CCOC(=O)[C@@](C)(CCBr)S(C)(=O)=O
InChIKey: DRDIKYRQXJWIIX-MRVPVSSYSA-N
분자식: C8H15BrO4S
평균 분자량: 287.17 g/mol
단동위원소 질량: 285.98744206

이름 및 식별자

우선 이름: (R)-ethyl 4-bromo-2-methyl-2-(methylsulfonyl)butanoate
IUPAC: ethyl (2R)-4-bromo-2-methyl-2-methylsulfonylbutanoate
영어명: (R)-ethyl 4-bromo-2-methyl-2-(methylsulfonyl)butanoate
분자식: C8H15BrO4S
분자량: 287.17

이름 및 동의어

1312478-48-0ethyl (2R)-4-bromo-2-methyl-2-methylsulfonylbutanoate(R)-Ethyl-4-bromo-2-methyl-2-(methylsulfonyl)butanoate(R)-ethyl 4-bromo-2-methyl-2-(methylsulfonyl)butanoateEthyl (R)-4-bromo-2-methyl-2-(methylsulfonyl)butanoateethyl (2R)-4-bromo-2-methyl-2-(methylsulfonyl)butanoateDRDIKYRQXJWIIX-MRVPVSSYSA-NSCHEMBL2018121DTXSID301151546Ethyl (2R)-4-bromo-2-(methanesulfonyl)-2-methylbutanoateButanoic acid, 4-bromo-2-methyl-2-(methylsulfonyl)-, ethyl ester, (2R)-

데이터베이스 식별자

CAS: 1312478-48-0
PubChem CID: 86670635
DTXSID: DTXSID301151546

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 68.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 14
형식 전하: 0
복잡도: 293

물리화학적 성질

끓는 점: 393 · 393.0±37.0 °C(Predicted)
밀도: 1.447 · 1.447±0.06 g/cm3(Predicted)

화학 및 산업

응용 분야

용도Ethyl 4-bromo-2-methyl-2-(methylsulfonyl)butanoate can be used to synthesize pyridine methylsulfone hydroxamate LpxC inhibitors for treating bacterial infections.