기본 정보
- CAS
1286156-10-2- 표준 SMILES
CC(C)(C)[Si](C)(C)OC1CC(CO)Oc2ccc(F)cc21- InChIKey
YEAOKGNXQYPAQW-UHFFFAOYSA-N- 분자식
- C16H25FO3Si
- 평균 분자량
- 312.45 g/mol
- 단동위원소 질량
- 312.15569935
이름 및 식별자
- 우선 이름
- 4-tert-Butyldimethylsilyloxy-6-fluoro-2-hydroxymethyl-3,4-dihydro-2H-1-benzopyran
- IUPAC
- [4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanol
- 현지명
- 4-tert-Butyldimethylsilyloxy-6-fluoro-2-hydroxymethyl-3,4-dihydro-2H-1-benzopyran(부분입체이성질체의혼합물)
- 영어명
- 4-tert-Butyldimethylsilyloxy-6-fluoro-2-hydroxymethyl-3,4-dihydro-2H-1-benzopyran (Mixture of Diastereomers)
- 분자식
- C16H25FO3Si
- 분자량
- 312.45
이름 및 동의어
1286156-10-24-tert-Butyldimethylsilyloxy-6-fluoro-2-hydroxymethyl-3,4-dihydro-2H-1-benzopyran[4-[tert-butyl(dimethyl)silyl]oxy-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanolDB-2532604-tert-Butyldimethylsilyloxy-6-fluoro-2-hydroxymethyl-3,4-dihydro-2H-1-benzopyran(부분입체이성질체의혼합물)4-tert-ButyldiMethylsilyloxy-6-fluoro-2-hydroxyMethyl-chroMan2H-1-Benzopyran-2-methanol, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-6-fluoro-3,4-dihydro-4-tert-Butyldimethylsilyloxy-6-fluoro-2-hydroxymethyl-3,4-dihydro-2H-1-benzopyran (Mixture of Diastereomers)4-tert-Butyldimethylsilyloxy-6-fluoro-2-hydroxymethyl-3,4-dihydro-2H-1-benzopyran \n(Mixture of Diastereomers)
데이터베이스 식별자
- CAS
1286156-10-2- PubChem CID
- 57476942
물성
구조 계산 물성
- 극성 표면적
- 38.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 356
물리화학적 성질
- 끓는 점
- 346.4 · 346.4±42.0 °C(Predicted)
- 밀도
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- 용해도
- 디클로로메탄 또는 메탄올에 용해됨
- 산도 계수 (pKa)
- 15 · 15.00±0.10(Predicted)
화학 및 산업
응용 분야
용도Intermediate in the preparation of hydroxylated Nebivolol metabolites.
공급사6 곳
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