Methyl 5-hydroxypyridine-3-carboxylate (HCID 354317)

이름 및 식별자

우선 이름: Methyl 5-hydroxypyridine-3-carboxylate
IUPAC: methyl 5-hydroxypyridine-3-carboxylate
영어명: Methyl 5-hydroxynicotinate
분자식: C7H7NO3
분자량: 153.14

이름 및 동의어

methyl 5-hydroxypyridine-3-carboxylateKJJSHOHQQHACLE-UHFFFAOYSA-RefChem:817114624-612-8InChI=1/C7H7NO3/c1-11-7(10)5-2-6(9)4-8-3-5/h2-4,9H,1H3Methyl 5-hydroxynicotinate30766-22-4Methyl 5-Hydroxy-3-pyridinecarboxylate5-Hydroxynicotinic Acid Methyl EsterMFCD001915213-PYRIDINECARBOXYLIC ACID, 5-HYDROXY-, METHYL ESTERmethyl-5-hydroxynicotinate

이름 더 보기

5-HydroxynicotinateMethy 5-hydroxynicotinate5- hydroxyMethyl nicotinateMethyl5-Hydroxynicotinate>Methyl 5-hydroxynicotinate 98%HydroxynicotinicacidmethylesterMETHYL 5-HYDROXYNICOTINATE, 97+%Methyl 5-hydroxynicotinate methy ester

5-hydroxy nicotinic acid methyl ester5-Hydroxy-3-pyridinecarboxylic Acid Methyl Ester5-Hydroxy-nicotinic acid methyl estermethyl 5-hydroxynicotinate-SCHEMBL342817NSC605540methyl-5-hydroxypyridine-3-carboxylateNSC-605540

데이터베이스 식별자

CAS: 30766-22-4
PubChem CID: 354317
DTXSID: DTXSID30326624
ChEMBL: CHEMBL1700220
EC Number: 624-612-8
Nikkaji: J27.983H

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 59.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 149

물리화학적 성질

녹는점: 190 °C · 190 °C
끓는 점: 374.2 · 374.2±22.0 °C(Predicted)
밀도: 1.287 · 1.287±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DMSO(가열, 초음파 처리), 메탄올(약간 용해됨, 초음파 처리)
산도 계수 (pKa): 8.44 · 8.44±0.10(Predicted)
물리적 상태: 가루와 덩어리
색상: 라이트 베이지
InChI: InChI=1S/C7H7NO3/c1-11-7(10)5-2-6(9)4-8-3-5/h2-4,9H,1H3
InChIKey: KJJSHOHQQHACLE-UHFFFAOYSA-N
SMILES: C1=NC=C(O)C=C1C(OC)=O

화학적 성질

Light beige powder and lumps

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 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: 29333990
risk_code: 36/37/38-41-37/38
hazard_code: Xi
safety_code: 26-36/37/39-39-37/39
위험 참고 사항: Irritant/Keep Cold
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Methyl 5-Hydroxynicotinate is an intermediate used to prepare selective cyclooxygenase-2 inhibitors. It is also used to prepare imino sugars as inhibitors of liver glycogen phosphorylase.

제조 방법 · 1건

The synthesis method of Methyl 5-hydroxynicotinate is as follows: 5-Hydroxynicotinic acid was dissolved in methanol, sulfuric acid was added, and the mixture was stirred at 70°C for 12 hours under nitrogen protection. After the reaction solution was concentrated, the residue was dissolved in dichloromethane, and the pH of the system was adjusted to 8 with saturated sodium bicarbonate solution. A white solid slowly precipitated out, and the mixture was filtered to obtain the final product.