N-Boc-2-피페리돈

tert-Butyl 2-oxopiperidine-1-carboxylate

HCID 7577838

기본 정보

CAS: 85908-96-9
표준 SMILES: CC(C)(C)OC(=O)N1CCCCC1=O
InChIKey: ULMHMJAEGZPQRY-UHFFFAOYSA-N
분자식: C10H17NO3
평균 분자량: 199.25 g/mol
단동위원소 질량: 199.1208434

개요

N-(tert-butoxycarbonyl)piperidin-2-one is piperidin-2-one N-protected by t-Boc. It is a piperidinecarboxylate ester and a delta-lactam.

이름 및 식별자

우선 이름: tert-Butyl 2-oxopiperidine-1-carboxylate
IUPAC: tert-butyl 2-oxopiperidine-1-carboxylate
현지명: N-Boc-2-피페리돈
영어명: N-Boc-2-piperidone
분자식: C10H17NO3
분자량: 199.25

이름 및 동의어

tert-butyl 2-oxopiperidine-1-carboxylateRefChem:892676617-775-185908-96-9N-Boc-2-piperidone1-Boc-2-piperidonen-boc-piperidone1-(tert-Butoxycarbonyl)-2-piperidoneN-(tert-butoxycarbonyl)piperidin-2-one1-Boc-piperidoneMFCD021790461-BOC-piperidinone

이름 더 보기

N-Boc-2-피페리돈Albb-0093611-(tert<1-Boc-2-pieridone1-N-BOC-2-PIPERIDONEN-BOC-DELTA-VALEROLACTAM1-N-Boc-2-piperidone 97%

CHEBI:595561-Boc-2-oxopiperidine1-Piperidinecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester2-oxopiperidine-1-carboxylic acid tert-butyl estertert-Butyl 2-Oxo-1-piperidinecarboxylateN-tert-Butoxycarbonyl-2-piperidinoneCS-W008882N-tert-butoxycarbonyl-delta-valerolactam

데이터베이스 식별자

CAS: 85908-96-9
PubChem CID: 7577838
DTXSID: DTXSID40428825
ChEBI: CHEBI:59556
UNII: EZR45N4E2K
EC Number: 617-775-1
Nikkaji: J687.393F

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 46.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 242

물리화학적 성질

녹는점: 29 · 29-36 °C
끓는 점: 110 °C/0.1mmHg · 110°C/0.1mmHg(lit.)
밀도: 1.099 · 1.099±0.06 g/cm3(Predicted)
인화점: 110 °C · >110 °C
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 고체
산도 계수 (pKa): -2.29 · -2.29±0.20(Predicted)
색상: 회백색
BRN: 4674955 · 4674955
InChI: InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8(11)12/h4-7H2,1-3H3
InChIKey: ULMHMJAEGZPQRY-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCCCC1=O

화학적 성질

Off-White Low Melting Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesEye Irrit. 2A (97.6%)

안전 데이터

wgk: 3
ridadr: UN 3082
HS 번호: 29337900
risk_code: 50
hazard_code: N
safety_code: 24/25-61
위험 등급: IRRITANT
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도N-Boc-2-piperidone(85908-96-9) is used as a synthetic intermediate in the preparation of various biological inhibitors.

상·하류 제품 정보

상류 원료

하류 제품

N-Boc-3,4-dihydro-2H-pyridine

공급사100 곳

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

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

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

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

추가 설명

정의ChEBI:N-Boc-2-piperidone-protected by t-Boc. It is also known as 1-N-Boc-2-piperidone,1-N-Boc-2-piperidone, or 1-(tert-Butoxycarbonyl)-2-piperidone.