1,1-Dimethylethyl N-((1S,3S)-3-((4-methoxy-3-(3-methoxypropoxy)phenyl)methyl)-4-methyl-1-((2S,4S)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl)pentyl)carbamate
기본 정보
- CAS
866030-35-5- 표준 SMILES
COCCCOc1cc(C[C@@H](C[C@H](NC(=O)OC(C)(C)C)[C@@H]2C[C@@H](C(C)C)C(=O)O2)C(C)C)ccc1OC- InChIKey
CYUJPKOZIGBPOO-IGRGDXOOSA-N- 분자식
- C30H49NO7
- 평균 분자량
- 535.7 g/mol
- 단동위원소 질량
- 535.3509029
이름 및 식별자
- 우선 이름
- 1,1-Dimethylethyl N-((1S,3S)-3-((4-methoxy-3-(3-methoxypropoxy)phenyl)methyl)-4-methyl-1-((2S,4S)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl)pentyl)carbamate
- IUPAC
- tert-butyl N-[(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate
- 영어명
- [(1S,3S)-3-[[4-Methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S, 4S)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]pentyl]carbamic Acid 1,1-tert-Butyl Ester
- 분자식
- C30H49NO7
- 분자량
- 535.71
이름 및 동의어
866030-35-5S79DP4SNC51,1-Dimethylethyl N-((1S,3S)-3-((4-methoxy-3-(3-methoxypropoxy)phenyl)methyl)-4-methyl-1-((2S,4S)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl)pentyl)carbamateCarbamic acid, N-((1S,3S)-3-((4-methoxy-3-(3-methoxypropoxy)phenyl)methyl)-4-methyl-1-((2S,4S)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl)pentyl)-, 1,1-dimethylethyl ester1,1-Dimethylethyl N-[(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]pentyl]carbamateCarbamic acid, N-[(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-tetrahydro-4-(1-methylethyl)-5-oxo-2-furanyl]pentyl]-, 1,1-dimethylethyl esterRefChem:71112617-890-7tert-Butyl ((1S,3S)-1-((2S,4S)-4-isopropyl-5-oxotetrahydrofuran-2-yl)-3-(4-methoxy-3-(3-methoxypropoxy)benzyl)-4-methylpentyl)carbamateMFCD20526612tert-butyl N-[(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate
물성
구조 계산 물성
- XLogP
- 6.4
- 극성 표면적
- 92.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 720
물리화학적 성질
- 끓는 점
- 650.4 · 650.4±50.0 °C(Predicted)
- 밀도
- 1.057 · 1.057
- 저장 조건
- 2 · 2-8°C
- 용해도
- 디클로로메탄 또는 메탄올에 용해됨
- 산도 계수 (pKa)
- 11.81 · 11.81±0.46(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (37 of 37) of all reports.
Not Classified
Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesNot Classified
화학 및 산업
응용 분야
용도Intermediate in the preparation of Aliskiren.
상·하류 제품 정보
상류 원료
관련 반응
1건
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