1-BOC-4-메탄술포닐록시메틸-피페리딘
Tert-butyl 4-(methylsulfonyloxymethyl)piperidine-1-carboxylate
기본 정보
- CAS
161975-39-9- 표준 SMILES
CC(C)(C)OC(=O)N1CCC(COS(C)(=O)=O)CC1- InChIKey
RXNQBVRCZIYUJK-UHFFFAOYSA-N- 분자식
- C12H23NO5S
- 평균 분자량
- 293.38 g/mol
- 단동위원소 질량
- 293.12969384
이름 및 식별자
- 우선 이름
- Tert-butyl 4-(methylsulfonyloxymethyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-(methylsulfonyloxymethyl)piperidine-1-carboxylate
- 현지명
- 1-BOC-4-메탄술포닐록시메틸-피페리딘
- 영어명
- 1-Boc-4-methanesulfonyloxymethyl-piperidine
- 분자식
- C12H23NO5S
- 분자량
- 293.38
이름 및 동의어
Tert-butyl 4-(methylsulfonyloxymethyl)piperidine-1-carboxylateRefChem:893882800-659-1161975-39-9tert-Butyl 4-(((methylsulfonyl)oxy)methyl)piperidine-1-carboxylate1-BOC-4-METHANESULFONYLOXYMETHYL-PIPERIDINEMFCD02082459tert-butyl 4-[(methanesulfonyloxy)methyl]piperidine-1-carboxylate1-N-BOC-4-METHANESULFONYLOXYMETHYLPIPERIDINEtert-butyl 4-{[(methylsulfonyl)oxy]methyl}piperidine-1-carboxylatetert-Butyl 4-([(methylsulfonyl)oxy]methyl)tetrahydro-1(2h)-pyridinecarboxylate1-piperidinecarboxylic acid, 4-[[(methylsulfonyl)oxy]methyl]-, 1,1-dimethylethyl ester
이름 더 보기
1-BOC-4-메탄술포닐록시메틸-피페리딘AMADISCHEMICAL1-Boc-4-(MethylsulfonyloxyMethyl)piperidine1-Boc-4-Methanesulfonyloxymethyl-piperidine?New4-(((methylsulfonyl)oxy)methyl)piperidine-1-carboxylate1-piperidinecarboxylic acid, 4-[[(methylsulfonyl)oxy]methy
1-BOC-4-MESYLOXYMETHYLPIPERIDINEN-Boc-4-Methanesulfonyloxymethyl-piperidineTERT-BUTYL 4-{[(METHYLSULFONYL)OXY]-METHYL}TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE1,1-dimethylethyl 4-{[(methylsulfonyl)oxy)methyl}piperidine-1-carboxylate1,1-dimethylethyl 4-{[(methylsulfonyl)oxy]methyl}piperidine-1-carboxylatetert-butyl 4-{[(methylsulfonyl)oxy]methyl}tetrahydro-1(2H)-pyridinecarboxylate4-Methanesulfonyloxymethyl-piperidine-1-carboxylic acid tert-butyl ester1-Boc-4-[[(methylsulfonyl)oxy]methyl]piperidine
데이터베이스 식별자
- CAS
161975-39-9- PubChem CID
- 2765838
- DTXSID
DTXSID40377566- EC Number
- 800-659-1
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 81.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 399
물리화학적 성질
- 녹는점
- 73 · 73-76°C
- 끓는 점
- 418.8 · 418.8±18.0 °C(Predicted)
- 밀도
- 1.175 · 1.175±0.06 g/cm3(Predicted)
- 저장 조건
- Store at room temperature
- 산도 계수 (pKa)
- -1.96 · -1.96±0.40(Predicted)
- InChI
- InChI=1S/C12H23NO5S/c1-12(2,3)18-11(14)13-7-5-10(6-8-13)9-17-19(4,15)16/h10H,5-9H2,1-4H3
- InChIKey
- RXNQBVRCZIYUJK-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCC(COS(C)(=O)=O)CC1
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 33.3% (2 of 6) of reports.
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationStatus: Active Update: 12-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33508
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
안전 데이터
- 위험 등급
- IRRITANT
화학 및 산업
응용 분야
용도1-Boc-4-methanesulfonyloxymethyl-piperidine can be used to synthesize antitumor, central nervous system drugs, GPCR ligands, and kinase inhibitors.
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