tert-butyl 4-(3-methoxy-4-nitrophenyl)-5,6-dihydropyridine-1(2H)-carboxylate

HCID 56945492

기본 정보

CAS
1233145-65-7
표준 SMILES
COc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-]
InChIKey
ZJHFTUXOGINWTB-UHFFFAOYSA-N
분자식
C17H22N2O5
평균 분자량
334.4 g/mol
단동위원소 질량
334.1528718

이름 및 식별자

우선 이름
tert-butyl 4-(3-methoxy-4-nitrophenyl)-5,6-dihydropyridine-1(2H)-carboxylate
IUPAC
tert-butyl 4-(3-methoxy-4-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
영어명
tert-butyl 4-(3-methoxy-4-nitrophenyl)-5,6-dihydropyridine-1(2H)-carboxylate
분자식
C17H22N2O5
분자량
334.37

이름 및 동의어

1233145-65-7tert-butyl 4-(3-methoxy-4-nitrophenyl)-5,6-dihydropyridine-1(2H)-carboxylateSCHEMBL520721SCHEMBL30957987DTXSID00718931ZJHFTUXOGINWTB-UHFFFAOYSA-Ntert-butyl 4-(3-methoxy-4-nitrophenyl)-3,6-dihydro-2H-pyridine-1-carboxylateDA-469874-(3-methoxy-4-nitro-phenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl estertert-butyl 4-(3-methoxy-4-nitro-phenyl)-3,6-dihydro-2H-pyridine-1-carboxylatetert-Butyl 4-(3-methoxy-4-nitrophenyl)-3,6-dihydropyridine-1(2H)-carboxylate1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-4-(3-methoxy-4-nitrophenyl)-, 1,1-dimethylethyl ester

데이터베이스 식별자

CAS
1233145-65-7
PubChem CID
56945492
DTXSID
DTXSID00718931

물성

구조 계산 물성

XLogP
2.8
극성 표면적
84.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
4
무거운 원자 수
24

물리화학적 성질

끓는 점
474.5 · 474.5±45.0 °C(Predicted)
밀도
1.211 · 1.211±0.06 g/cm3(Predicted)
산도 계수 (pKa)
-2.23 · -2.23±0.40(Predicted)

화학 및 산업

공급사3 곳

吉林中科研伸科技有限公司18143011203 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
河北药成医药科技有限责任公司19903117580 19903117510 · [email protected]

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