(Butane-1,4-diyl)bis(diphenylphosphane)--dichloropalladium (1/1)

HCID 10974057

노트 반응

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기본 정보

CAS: 29964-62-3
표준 SMILES: [Cl][Pd][Cl].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIKey: JQXJBXVWVPVTOO-UHFFFAOYSA-L
분자식: C28H28Cl2P2Pd
평균 분자량: 603.8 g/mol
단동위원소 질량: 602.00781552

개요

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이름 및 식별자

우선 이름: (Butane-1,4-diyl)bis(diphenylphosphane)--dichloropalladium (1/1)
IUPAC: dichloropalladium;4-diphenylphosphanylbutyl(diphenyl)phosphane
영어명: 1,4-Bis(diphenylphosphino)butane-palladium(II) chloride
분자식: C28H28P2.Cl2Pd
분자량: 603.8

이름 및 동의어

DTXSID30450296(Butane-1,4-diyl)bis(diphenylphosphane)--dichloropalladium (1/1)RefChem:1050830DTXCID2040111629964-62-31,4-Bis(diphenylphosphino)butane-palladium(II) chloride1,4-Butylenebis(diphenylphosphine)palladium dichloride[1,4-Bis(diphenylphosphino)butane]palladium(II) DichlorideDichloro[1,4-bis(diphenylphosphino)butane]palladium(II)dichloropalladium;4-diphenylphosphanylbutyl(diphenyl)phosphanePdCl2(dppb)MFCD02093437

이름 더 보기

PDCI2(DPPB)Dichloro[bis(1,4-diphenylphosphino)butane]palladium(II)[1,4-bis(diphenylphosphino)butane] palladium(ll) dichlorideadium(II) DichL[1,4-Bis(diphenyLphosphino)butane]paLPalladium(ii) chloride 1,4-b[(C6H5)2PCH2CH2CCH2H2P(C6H5)2]PdCl2Bisdiphenylphosphinobutanepalladiumdichloride

Dichloro-1,4-bis(diphenylphosphino)butane-palladium(II)Pd(dppb)Cl2dichloropalladium,4-diphenylphosphanylbutyl(diphenyl)phosphaneSCHEMBL146934JQXJBXVWVPVTOO-UHFFFAOYSA-LAKOS024258506FB60968LS-0009

데이터베이스 식별자

CAS: 29964-62-3
PubChem CID: 10974057
DTXSID: DTXSID30450296

물성

구조 계산 물성

극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 9
무거운 원자 수: 33
형식 전하: 0
복잡도: 364

물리화학적 성질

녹는점: 285 · 285-305 °C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 에탄올, 벤젠 및 에테르 용매에 용해됩니다.
물리적 상태: 가루
색상: 연노랑
InChI: 1S/C28H28P2.2ClH.Pd/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;;;/h1-12,15-22H,13-14,23-24H2;2*1H;/q;;;+2/p-2
InChIKey: JQXJBXVWVPVTOO-UHFFFAOYSA-L
SMILES: P(C1=CC=CC=C1)(CCCCP(C1=CC=CC=C1)C1C=CC=CC=1)C1=CC=CC=C1.[Pd](Cl)Cl

화학적 성질

yellow solid

안전 및 규제

안전 데이터

wgk: 3
HS 번호: 28439000
risk_code: 36/37/38
hazard_code: Xn
safety_code: 24/25-36-27
F 고인화성물질: 1-10
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Dichloro[bis(1,4-diphenylphosphino)butane]palladium(II) is used for the catalysis of styrene carbonylation, coupling of alkyl Grignard reagents with organic halides, selective monoalkylation of organic polyhalides, and modification of the dihalovinyl moiety of synthetic pyrethroids.

제조 방법 · 1건

Dichloro[1,4-bis(diphenylphosphino)butane]palladium(II) (1,4-Bis(diphenylphosphino)butane-palladium(II) chloride) can be prepared conveniently in situ by mixing the bidentate phosphine ligand and (PhCN)2PdCl2 in either benzene or chloroform.[1] The preparation of (dppb)PdCl2 is also possible through the reaction of PdCl2 with dppb in acetone, a process that slowly forms the catalyst as a white precipitate which can be isolated in 51% yield.[2] Preparation of the hydrate complex is possible via the reaction of Na2[PdCl4] with dppb in a mixture of CH2Cl2 and water.