1-Boc-4-메탄술포닐옥시피페리딘

1-(tert-Butoxycarbonyl)-4-(methanesulfonyloxy)piperidine

HCID 4184869CAS 141699-59-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N1CCC(OS(C)(=O)=O)CC1
InChIKey: WOEQSXAIPTXOPY-UHFFFAOYSA-N
분자식: C11H21NO5S
평균 분자량: 279.36 g/mol
단동위원소 질량: 279.11404377

이름 및 식별자

우선 이름: 1-(tert-Butoxycarbonyl)-4-(methanesulfonyloxy)piperidine
IUPAC: tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate
현지명: 1-Boc-4-메탄술포닐옥시피페리딘
영어명: 1-Boc-4-methanesulfonyloxypiperidine
분자식: C11H21NO5S
분자량: 279.35

이름 및 동의어

1-(tert-butoxycarbonyl)-4-(methanesulfonyloxy)piperidine4-[(Methylsulfonyl)oxy]piperidine-1-carboxylic acid tert-butyl ester4-((Methylsulfonyl)oxy)piperidine-1-carboxylic acid tert-butyl esterRefChem:428697619-988-5141699-59-4tert-Butyl 4-((methylsulfonyl)oxy)piperidine-1-carboxylate1-Boc-4-methanesulfonyloxypiperidine1-Boc-4-methanesulfonyloxy-piperidine4-Methanesulfonyloxy-piperidine-1-carboxylic acid tert-butyl esterMFCD04116220tert-butyl 4-(methanesulfonyloxy)piperidine-1-carboxylate

이름 더 보기

1-Boc-4-메탄술포닐옥시피페리딘tert-butyl4-(Methylsulfonyloxy)piperidine-1-carboxylateCrizotinib Impurity 12)oxy)piperidine-1-carboxyL1-Boc-methanesulfonyl-piperdine1-Boc-4-methanesulfonyloxy-piperL-Valine,6-mercapto-,methylesterN-BOC-4-(methanesulfonyloxy)piperidine

Tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylatet-Butyl 4-(methanesulfonyloxy)piperidine-1-carboxylate1-Boc-4-(methylsulfonyloxy)piperidine1-Piperidinecarboxylic acid, 4-[(methylsulfonyl)oxy]-, 1,1-dimethylethyl esterTERT-BUTYL 4-(METHYLSULFONYLOXY)PIPERIDINE-1-CARBOXYLATE1-tert-Butoxycarbonyl-4-methylsulfonyloxypiperidine1,1-dimethylethyl 4-[(methylsulfonyl)oxy]-1-piperidinecarboxylatetert-butyl 4-[(methylsulfonyl)oxy]piperidine-1-carboxylate

데이터베이스 식별자

CAS: 141699-59-4
PubChem CID: 4184869
DTXSID: DTXSID50400455
UNII: VY4L6E6YPV
EC Number: 619-988-5
Nikkaji: J1.097.785A

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 81.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 18
형식 전하: 0
복잡도: 385

물리화학적 성질

녹는점: 193 · 193-195 °C
끓는 점: 407.2 · 407.2±34.0 °C(Predicted)
밀도: 1.22 · 1.22±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): -3.02 · -3.02±0.40(Predicted)
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C11H21NO5S/c1-11(2,3)16-10(13)12-7-5-9(6-8-12)17-18(4,14)15/h9H,5-8H2,1-4H3
InChIKey: WOEQSXAIPTXOPY-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(OS(C)(=O)=O)CC1

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (95.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (95.1%)

안전 데이터

wgk: WGK 3
ridadr: 2811
HS 번호: 29333990
risk_code: 25-20/21/22
hazard_code: T
safety_code: 45-24/25-23
포장분류: Ⅲ
위험 등급: 6.1
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

상·하류 제품 정보

상류 원료

피페라지늄클로라이드 N-Phenyl-bis(trifluoromethanesulfonimide)메탄설포닐 클로라이드 디클로로메탄 트리에틸아민 4-히드록시피페리딘 디 -Tert- 부틸 디 카보네이트 N-BOC-4-하이드록시피페리딘

하류 제품

N-Boc-3,4-dihydro-2H-pyridine 피페리딘,4-(1H-피라졸-1-일)-(9CI)N-Boc-3-hydroxy-1,2,3,6-tetrahydropyridine 트리에틸아민 하이드로클로라이드 1-BOC-4-(3-브로모페녹시)피페리딘 4-(4-플루오로-페닐설파닐)-피페리딘-1-카르복실산tert-부틸에스테르

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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

연결된 노트

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