CAS 105151-39-1 Diethyl 5-ethylpyridine-2,3-dicarboxylate (HCID 10857926)

기본 정보

CAS: 105151-39-1
표준 SMILES: CCOC(=O)c1cc(CC)cnc1C(=O)OCC
InChIKey: VSPXTWXXNZJEHM-UHFFFAOYSA-N
분자식: C13H17NO4
평균 분자량: 251.28 g/mol
단동위원소 질량: 251.11575802

이름 및 식별자

우선 이름: Diethyl 5-ethylpyridine-2,3-dicarboxylate
IUPAC: diethyl 5-ethylpyridine-2,3-dicarboxylate
영어명: 5-Ethylpyridine-2,3-dicarboxylic acid diethyl ester
분자식: C13H17NO4
분자량: 251.28

이름 및 동의어

105151-39-1Diethyl 5-ethylpyridine-2,3-dicarboxylateDTXSID70446158RefChem:337926DTXCID403969795-Ethylpyridine-2,3-dicarboxylic acid diethyl esterMFCD066582122,3-DIETHYL 5-ETHYLPYRIDINE-2,3-DICARBOXYLATE2,3-Pyridinedicarboxylicacid, 5-ethyl-, 2,3-diethyl ester2,3-Pyridinedicarboxylic acid, 5-ethyl-, diethyl esterImazethapyr Impurity (Diethyl 5-ethylpyridine-2,3-dicarboxylate)Imazethapyr Impurity

이름 더 보기

dimethyl 5-ethylpyridine-2,3-dicarboxylateiethyl5-ethylpyridine-2,3-dicarboxylate5-EthylPyridine-2,3-Dicarboxylic Acid Diethyl5-ETHYL -PAYIDINE-2,3-DICARBOXYLIC ACID DIETHYL ESTER 98+%

5-Ethyl-2,3-pyridinedicarboxylic Acid Diethyl Ester;ethyl 2-(ethoxycarbonyl)-5-ethylpyridine-3-carboxylate5-Ethyl-2,3-pyridinedicarboxylic acid diethyl esterSCHEMBL6559833SCHEMBL298978835-Ethyl-Pyridine-2,3-DicarboxySBB0538095-ethyl-2,3-diethoxycarbonylpyridine

데이터베이스 식별자

CAS: 105151-39-1
PubChem CID: 10857926
DTXSID: DTXSID70446158
Nikkaji: J195.870D

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 65.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 7
무거운 원자 수: 18
형식 전하: 0
복잡도: 293

물리화학적 성질

끓는 점: 180 · 180-190 °C(Press: 5-7 Torr)
밀도: 1.12 · 1.120±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: DMSO, 메탄올(약간 용해됨)
산도 계수 (pKa): -0.2 · -0.20±0.10(Predicted)
물리적 상태: 기름
색상: 맑은 노란색에서 노란색까지
InChI: InChI=1S/C13H17NO4/c1-4-9-7-10(12(15)17-5-2)11(14-8-9)13(16)18-6-3/h7-8H,4-6H2,1-3H3
InChIKey: VSPXTWXXNZJEHM-UHFFFAOYSA-N

안전 및 규제

유해성 정보

Regulatory InformationChemical: 2,3-Pyridinedicarboxylic acid, 5-ethyl-, diethyl ester

안전 데이터

hazard_code: F

화학 및 산업

응용 분야

용도Diethyl 5-Ethylpyridine-2,3-dicarboxylate is used as a reagent for the preparation of midazolinylpyridinecarboxylic acid from pyridinedicarboxylate and aminobutyramide.