1-Boc-4-메틸렌피페리딘

1-Boc-4-Methylenepiperidine

HCID 2756808CAS 159635-49-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C=C1CCN(C(=O)OC(C)(C)C)CC1
InChIKey: PDTZMULNKGUIEJ-UHFFFAOYSA-N
분자식: C11H19NO2
평균 분자량: 197.27 g/mol
단동위원소 질량: 197.14157885

이름 및 식별자

우선 이름: 1-Boc-4-Methylenepiperidine
IUPAC: tert-butyl 4-methylidenepiperidine-1-carboxylate
현지명: 1-Boc-4-메틸렌피페리딘
영어명: tert-Butyl 4-methylenepiperidine-1-carboxylate
분자식: C11H19NO2
분자량: 197.27

이름 및 동의어

1-boc-4-methylenepiperidineRefChem:430100639-305-4159635-49-1tert-butyl 4-methylenepiperidine-1-carboxylate1-N-Boc-4-methylenepiperidinen-boc-4-methylenepiperidinetert-butyl 4-methylidenepiperidine-1-carboxylate1-N-Boc-4-methylene-piperidineMFCD016325221-tert-Butoxycarbonyl-4-methylenepiperidine1-PIPERIDINECARBOXYLIC ACID, 4-METHYLENE-, 1,1-DIMETHYLETHYL ESTER

이름 더 보기

1-Boc-4-메틸렌피페리딘4-METHYenepiperidineN-Boc-4-MethyL1-Boc-4-Methylenepip1-Boc-4-methylenepiperidin

4-methylenepiperidine-1-carboxylic acid tert-butyl estertert-butyl 4-methylenepiperidinecarboxylate4-methylene-piperidine-1-carboxylic acid tert-butyl esterboc-4-methylenepiperidine1-Boc-4-methylene piperidineSCHEMBL1372971-Boc-4-(methylene)piperidineSCHEMBL8243744

데이터베이스 식별자

CAS: 159635-49-1
PubChem CID: 2756808
DTXSID: DTXSID90373553
EC Number: 639-305-4
Nikkaji: J746.716H

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 230

물리화학적 성질

끓는 점: 80 °C/1mmHg · 80°C/1mmHg(lit.)
밀도: 1 g/ml · 1g/ml
굴절률: 1.463 to · 1.4630 to 1.4670
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 액체
산도 계수 (pKa): -1.41 · -1.41±0.20(Predicted)
색상: Clear, colourless
InChI: InChI=1S/C11H19NO2/c1-9-5-7-12(8-6-9)10(13)14-11(2,3)4/h1,5-8H2,2-4H3
InChIKey: PDTZMULNKGUIEJ-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(=C)CC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2933399990
hazard_code: Xi
위험 참고 사항: Irritant

화학 및 산업

응용 분야

용도tert-Butyl 4-Methylenepiperidine-1-carboxylate is a useful reagent for the design of anion exchange membranes (AEMs) and ionomers for use in storage devices such as fuel cells and batteries.

상·하류 제품 정보

상류 원료

1-(tert-Butyl)-5-(methylsulfonyl)-1H-tetrazole 1-메틸-2-(메틸술포닐)-1H-벤조[d]이미다졸 Trimethylsilylmethylmagnesium chloride N-(tert-Butoxycarbonyl)-4-piperidone Methyltriphenylphosphonium iodide 메틸트리페닐포스포늄브로마이드 포타슘터셔리부톡사이드 디에틸에테르

하류 제품

tert-부틸2-옥소-7-아자스피로[3.5]노난-7-카르복실레이트 tert-Butyl 4-((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylene)piperidine-1-carboxylate 4-메틸렌피페리딘 2-아미노-7-복-7-아자스피로[…7-Boc-2-하이드록시-7-아자스피르…7-아자-스피로[3.5]노난 Piperidine, 4-[(3,5-difluorophenyl)methyl]-4-[(5-브로모-2-피리디닐)메틸]-1-피페리딘카르복실산산1,1-디메틸에틸에스테르 4-methylenepiperidine trifluoroacetate

공급사34 곳

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

合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]

艾琪康医药科技（上海）有限公司13661411401 · [email protected]

杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]

上海皓伯化工科技有限公司021-57790084 13918007836

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