Tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate (HCID 2764081)

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 물성

XLogP: 1.2
극성 표면적: 49.8 Å²
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

GHS 분류

GHS Classification · 6건

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 · 2건

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.