HRID 1316440촉매로High-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
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기본 정보
- CAS
71071-46-0- 표준 SMILES
COC(=O)c1ccnc(-c2cc(C(=O)OC)ccn2)c1- InChIKey
HBWBVIDKBKOVEX-UHFFFAOYSA-N- 분자식
- C14H12N2O4
- 평균 분자량
- 272.26 g/mol
- 단동위원소 질량
- 272.07970686
이름 및 식별자
- 우선 이름
- Dimethyl [2,2'-bipyridine]-4,4'-dicarboxylate
- IUPAC
- Dimethyl [2,2'-bipyridine]-4,4'-dicarboxylate
- 현지명
- 4,4'-비스(메톡시카본)-2,2'-비피리딘
- 영어명
- 4,4'-Bis(methoxycarbonly)-2,2'-bipyridine
- 분자식
- C14H12N2O4
- 분자량
- 272.26
이름 및 동의어
4,4'-비스(메톡시카본)-2,2'-비피리딘Nsc2978404-Bis(methoxycarbonly)-24,4′-Dimethoxycarbonyl-2,2′-bipyridine4,4'-bis(carbomethoxy)-2,2'-bipyridine4,4'-bis(methoxycarbonly)-2,2'-bipyridine4,4'-BIS(METHOXYCARBONYL)-2,2'-BIPYRIDINEDimethyl 2,2'-Bipyridine-4,4'-dicarboxylateDimethyl 2,2'-Bipyridine-4,4'-dicarboxylate >2,2'-Bipyridine-4,4'-dicarboxylic acid dimethyl ester2,2'-Bipyridine-4,4'-biscarboxylic acid dimethyl ester
데이터베이스 식별자
- CAS
71071-46-0- PubChem CID
- 326419
- DTXSID
DTXSID30315836- ChEMBL
CHEMBL3108957- EC Number
- 804-234-1
- Nikkaji
- J284.373K
물성
물리화학적 성질
- 녹는점
- 208 to · 208.0 to 212.0 °C
- 끓는 점
- 440.8 · 440.8±45.0 °C(Predicted)
- 밀도
- 1.254 · 1.254±0.06 g/cm3(Predicted)
- 저장 조건
- Inert atmosphere,Room Temperature
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 1.85 · 1.85±0.30(Predicted)
- 색상
- 흰색에서 거의 흰색
- InChI
- InChI=1S/C14H12N2O4/c1-19-13(17)9-3-5-15-11(7-9)12-8-10(4-6-16-12)14(18)20-2/h3-8H,1-2H3
- InChIKey
- HBWBVIDKBKOVEX-UHFFFAOYSA-N
- SMILES
- C1(C2=NC=CC(C(OC)=O)=C2)=NC=CC(C(OC)=O)=C1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- HS 번호
- 29333990
- risk_code
- 37/38-41
- hazard_code
- Xi
- safety_code
- 26-39
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도4,4'-Bis(methoxycarbonyl)-2,2'-bipyridine is a chemical reaction reagent or organic synthesis intermediate that can be used as a ligand in cross-coupling reactions, binding to metal ions and forming complexes. 4,4'-Bis(methoxycarbonyl)-2,2'-bipyridine has a constant value that maximizes the yield of the reaction and has luminescence, which can be used for voltammetry studies. The transfer of the chromophore or the catalyst can be optimized using this product. 4,4'-Bis(methoxycarbonyl)-2,2'-bipyridine provides a method for cross-coupling reactions using electrochemical studies and dichroism.
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
352건
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