기본 정보
- CAS
518990-23-3- 표준 SMILES
CCOC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2- InChIKey
XLEGNBXLLFAJCK-UHFFFAOYSA-N- 분자식
- C14H21N3O4
- 평균 분자량
- 295.33 g/mol
- 단동위원소 질량
- 295.15320615
이름 및 식별자
- 우선 이름
- 5-tert-butyl 3-ethyl 1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylate
- IUPAC
- 5-O-tert-butyl 3-O-ethyl 1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxylate
- 영어명
- 5-tert-butyl 3-ethyl 1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylate
- 분자식
- C14H21N3O4
- 분자량
- 295.33
이름 및 동의어
5-tert-butyl 3-ethyl 1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylate5-tert-butyl 3-ethyl 1H,4H,5H,6H,7H-pyrazolo(4,3-c)pyridine-3,5-dicarboxylateRefChem:537828813-202-6518990-23-35-tert-butyl 3-ethyl 6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-3,5(4H)-dicarboxylate5-tert-butyl 3-ethyl 1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylate1709843-86-65-tert-Butyl 3-ethyl 6,7-dihydro-2H-pyrazolo[4,3-c]pyridine-3,5(4H)-dicarboxylateMFCD120283851,4,6,7-Tetrahydro-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid 5-tert-Butyl ester 3-ethyl ester5-(tert-butyl) 3-ethyl 1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylate
이름 더 보기
5H-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid, 1,4,6,7-5-tert-butyl 3-ethyl 1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-...5-tert-Butyl 3-ethyl 6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-3,5(4H)Ethyl 5-Boc-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate5-t-Butyl 3-ethyl 6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-3,5(4H)-dicarboxylate
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 84.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 408
물리화학적 성질
- 끓는 점
- 484.5 · 484.5±45.0 °C(Predicted)
- 밀도
- 1.228 · 1.228±0.06 g/cm3(Predicted)
- 저장 조건
- Store at room temperature
- 산도 계수 (pKa)
- 11.85 · 11.85±0.20(Predicted)
- 물리적 상태
- 가루
- 색상
- Off-white/very faint brown
- InChI
- InChI=1S/C14H21N3O4/c1-5-20-12(18)11-9-8-17(7-6-10(9)15-16-11)13(19)21-14(2,3)4/h5-8H2,1-4H3,(H,15,16)
- InChIKey
- XLEGNBXLLFAJCK-UHFFFAOYSA-N
- SMILES
- C1N(C(OC(C)(C)C)=O)CCC2NN=C(C(OCC)=O)C1=2
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (50%)
안전 데이터
- ridadr
- UN2811
- HS 번호
- 2933998090
- 위험 등급
- IRRITANT
- Hazard Classifications
- Acute Tox. 3 Oral
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
응용 분야
용도5-Tert-Butyl 3-ethyl 6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-3,5(4H)-dicarboxylate is used as a reactant in the preparation of benzimidazoles, analogs and their use as protein kinase inhibitors.
공급사58 곳
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京优氟医药科技有限公司025-86755008 17751752005 · [email protected]
苏州申拓医药科技有限公司13911244683 18151949202 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
常州稀亚生物科技有限公司13775267187 · [email protected]
Aladdin Scientific[email protected]
河北贝克曼生物科技有限公司15961617865 15961617865 · [email protected]
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