N-Boc-4-피페리딘메탄올
Tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate
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기본 정보
- CAS
123855-51-6- 표준 SMILES
CC(C)(C)OC(=O)N1CCC(CO)CC1- InChIKey
CTEDVGRUGMPBHE-UHFFFAOYSA-N- 분자식
- C11H21NO3
- 평균 분자량
- 215.29 g/mol
- 단동위원소 질량
- 215.15214353
이름 및 식별자
- 우선 이름
- Tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate
- 현지명
- N-Boc-4-피페리딘메탄올
- 영어명
- N-Boc-4-piperidinemethanol
- 분자식
- C11H21NO3
- 분자량
- 215.29
이름 및 동의어
tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylateRefChem:893869639-271-0N-Boc-4-piperidinemethanol123855-51-61-Boc-4-piperidinemethanolMFCD020944881-N-Boc-4-hydroxymethyl-piperidineN-Boc-4-piperidinmethanolN-tert-Butyloxycarbonyl-4-piperidinemethanol1-PIPERIDINECARBOXYLIC ACID, 4-(HYDROXYMETHYL)-, 1,1-DIMETHYLETHYL ESTERtert-Butyl 4-(hydroxymethyl)-1-piperidinecarboxylate
이름 더 보기
N-Boc-4-피페리딘메탄올N-BOC-piperidine-4-methanolBOC-PIC(4)-OLBUTTPARK 75\50-52N-Boc-4-piperidineMeBoc-4-Piperidine methanolN-BOC-piperidin-4-MethanolBOC-ISONICOT(HEXAHYDRO)-OL
1-(tert-Butoxycarbonyl)-4-piperidinemethanolN-(tert-Butoxycarbonyl)-4-piperidinemethanol1-(tert-Butoxycarbonyl)-4-(hydroxymethyl)piperidine4-hydroxymethyl-piperidine-1-carboxylic acid tert-butyl estertert-butyl 4-(hydroxymethyl)piperidinecarboxylaten-boc-4-hydroxymethylpiperidine1-boc-4-hydroxymethyl-piperidinel-boc-piperidine-4-methanol
데이터베이스 식별자
- CAS
123855-51-6- PubChem CID
- 2764081
- DTXSID
DTXSID70377291- ChEMBL
CHEMBL4911781- EC Number
- 639-271-0
- Nikkaji
- J3.014.454F
물성
구조 계산 물성보충 중
- XLogP
- 1.2
- 극성 표면적
- 49.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 214
물리화학적 성질
- 녹는점
- 78 · 78-82 °C (lit.)
- 끓는 점
- 308 · 308.0±15.0 °C(Predicted)
- 밀도
- 1.059 · 1.059±0.06 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- 메탄올에 용해됨
- 산도 계수 (pKa)
- 14.94 · 14.94±0.10(Predicted)
- 물리적 상태
- 가루
- 색상
- 흰색에서 갈색으로
- InChI
- InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12/h9,13H,4-8H2,1-3H3
- InChIKey
- CTEDVGRUGMPBHE-UHFFFAOYSA-N
- SMILES
- N1(C(OC(C)(C)C)=O)CCC(CO)CC1
화학적 성질
White to light brown solid
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 20% (1 of 5) of reports.
Warning
H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 5 reports by companies.；There are 4 notifications provided by 4 of 5 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (80%)；Eye Irrit. 2A (80%)；STOT SE 3 (80%)
안전 데이터
- wgk
- 3
- HS 번호
- 29339900
- hazard_code
- Xi
- safety_code
- 24/25
- 위험 등급
- IRRITANT
- 스토리지 클래스
- 13 - Non Combustible Solids
화학 및 산업
응용 분야
용도N-Boc-4-piperidinemethanol is an important piperidine derivative, which can be used in organic synthesis and pharmaceutical intermediates, It may be used to synthesize:methyl 5-methoxy-4-(1-methylpiperidin-4-ylmethoxy)-2-nitrobenzoateN-Boc-4-piperidinecarboxaldehyde[1-(tert-butoxycarbonyl)piperidin-4-yl]methyl methanesulfonateInvolved in the synthesis of bradycardic agents.
일반 설명N-Boc-4-piperidinemethanol contains a tert-butyloxycarbonyl (t-BOC)-protecting group. It can be synthesized from 4-piperidinemethanol via reaction with di-tert-butyldicarbonate.
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