4-Benzyloxy-2(1H)-pyridone

HCID 3607724CAS 53937-02-3

기본 정보

표준 SMILES: O=c1cc(OCc2ccccc2)cc[nH]1
InChIKey: DOVNUEPFPBWTSV-UHFFFAOYSA-N
분자식: C12H11NO2
평균 분자량: 201.22 g/mol
단동위원소 질량: 201.07897859

이름 및 식별자

우선 이름: 4-Benzyloxy-2(1H)-pyridone
IUPAC: 4-phenylmethoxy-1H-pyridin-2-one
영어명: 4-BENZYLOXY-2(1 H)-PYRIDONE
분자식: C12H11NO2
분자량: 201.22

이름 및 동의어

4-Benzyloxy-2(1H)-pyridoneRefChem:518511628-287-353937-02-34-Benzyloxy-2-(1H)-pyridone4-BENZYLOXY-2-HYDROXYPYRIDINE4-Benzyloxypyridin-2-one4-(Benzyloxy)pyridin-2(1H)-one4-(Benzyloxy)pyridin-2-ol4-BENZYLOXY-2(1 H)-PYRIDONE4-phenylmethoxy-1H-pyridin-2-one2(1H)-Pyridinone, 4-(phenylmethoxy)-

이름 더 보기

2G/10G/1KG4-Benzyloxy-pyridin-2-ol4-benzyloxy-2(1H)-pyrodone4-Benzyloxy-2(1 H)-pyridine4-Benzyloxypyridin-2-one?New4-(Benzyloxy)pyridin-2-ol 97%

4-(benzyloxy)-1,2-dihydropyridin-2-oneMFCD04039771MLS001360006SMR0012243274-Benzyloxy-1H-pyridin-2-one4-(phenylmethoxy)hydropyridin-2-one4-benzyloxypyridone4-benzyloxypyridinone

데이터베이스 식별자

CAS: 53937-02-3
PubChem CID: 3607724
DTXSID: DTXSID30394121
ChEMBL: CHEMBL1475400
EC Number: 628-287-3
Nikkaji: J281.983J

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 38.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 288

실험 및 물리화학적 성질

Solubility>30.2 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점: 201 · 201-203 °C (lit.)
끓는 점: 464.3 · 464.3±45.0 °C(Predicted)
밀도: 1.2 · 1.20±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 11.09 · 11.09±0.10(Predicted)
물리적 상태: 가루
색상: 노란색에서 주황색, 갈색까지
InChI: 1S/C12H11NO2/c14-12-8-11(6-7-13-12)15-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,13,14)
InChIKey: DOVNUEPFPBWTSV-UHFFFAOYSA-N
SMILES: O=C1NC=CC(OCc2ccccc2)=C1

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 44 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 CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29337900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Benzyloxy-2(1H)-pyridone may be used for the synthesis of novel 2-pyridone derivatives. It may be used for the alkylation of the pyridine nitrogen under mild and anhydrous conditions, via reaction with n-Bu4I and KOBu-t.

일반 설명N-alkylation of 4-benzyloxy-2(1H)-pyridone with the corresponding benzyl halides has been reported.