N-BOC-4-하이드록시피페리딘

Tert-butyl 4-hydroxypiperidine-1-carboxylate

HCID 643502CAS 109384-19-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N1CCC(O)CC1
InChIKey: PWQLFIKTGRINFF-UHFFFAOYSA-N
분자식: C10H19NO3
평균 분자량: 201.26 g/mol
단동위원소 질량: 201.13649347

이름 및 식별자

우선 이름: Tert-butyl 4-hydroxypiperidine-1-carboxylate
IUPAC: tert-butyl 4-hydroxypiperidine-1-carboxylate
현지명: N-BOC-4-하이드록시피페리딘
영어명: N-BOC-4-Hydroxypiperidine
분자식: C10H19NO3
분자량: 201.26

이름 및 동의어

tert-butyl 4-hydroxypiperidine-1-carboxylate4-Hydroxypiperidine-1-carboxylic acid tert-butyl esterRefChem:894075600-916-6109384-19-2n-boc-4-hydroxypiperidine1-Boc-4-hydroxypiperidine1-Boc-4-piperidinolN-Boc-4-piperidinolMFCD010751741-(tert-Butoxycarbonyl)-4-hydroxypiperidine1-piperidinecarboxylic acid, 4-hydroxy-, 1,1-dimethylethyl ester

이름 더 보기

N-BOC-4-하이드록시피페리딘N-(TERT-BUTOXYCARBONYL)-4-PIPERIDINOLBoc-4-piperidinol1-Bocpiperidin-4-olRARECHEM AH CK 0055

Boc-(4-hydroxy)piperidine1-Boc-4-Hydroxy-piperidine1-tert-Butoxycarbonyl-4-hydroxypiperidine1-Boc-piperidin-4-ol1-boc-4-hydroxy piperidine4-hydroxy-piperidine-1-carboxylic acid tert-butyl estertert-Butyl 4-hydroxy-1-piperidinecarboxylate4-HYDROXY-1-(TERT-BUTOXYCARBONYL)PIPERIDINE

데이터베이스 식별자

CAS: 109384-19-2
PubChem CID: 643502
DTXSID: DTXSID40349203
UNII: VFT42CH8U4
EC Number: 600-916-6
Nikkaji: J1.097.794K

물성

구조 계산 물성

XLogP: 1
극성 표면적: 49.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 202

실험 및 물리화학적 성질

DrugsDEA NFLIS-Drug Category -> Fentanyl and Fentanyl-related

물리화학적 성질

녹는점: 61 · 61-65 °C (lit.)
끓는 점: 292.3 · 292.3±33.0 °C(Predicted)
밀도: 1.107 · 1.107±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름, 에틸아세테이트에 용해됨
산도 계수 (pKa): 14.8 · 14.80±0.20(Predicted)
물리적 상태: 가루
색상: 흰색에서 크림색으로
BRN: 7202094 · 7202094
InChI: InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h8,12H,4-7H2,1-3H3
InChIKey: PWQLFIKTGRINFF-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(O)CC1

화학적 성질

White to cream powder

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 48 reports by companies from 8 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

wgk: 3
HS 번호: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
위험 등급: IRRITANT
기존화학 물질: 2014-3-6007
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도N-Boc-4-hydroxypiperidine is a 4-hydroxypyridine with a boc protecting group used in the preparation of neurologically active agents and other pharmaceutical compounds.

제조 방법 · 1건

A mixture of 4-hydroxypiperidine (10.0 g, 98. 9 mmol), aqueous sodiumhydrogen carbonate (150 mL, 1 M), DI-FERT-BUTYL dicarbonate (21. 6 g, 98.9 mmol) and dichloromethane was stirred for 15 h. The phases were separated and the product (N-BOC-4-Hydroxypiperidine) was isolated as an oil in quantitative yield (19.9 g).