(1,5-Cyclooctadiene)bis(methyldiphenylphosphine)iridium(I) hexafluorophosphate
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기본 정보
- CAS
38465-86-0- 표준 SMILES
C1=C\CC/C=C\CC/1.CP(c1ccccc1)c1ccccc1.CP(c1ccccc1)c1ccccc1.F[P-](F)(F)(F)(F)F.[Ir]- InChIKey
MUHONFFTSOCMDH-JXNOXZOESA-N- 분자식
- C34H38F6IrP3-
- 평균 분자량
- 845.805 g/mol
- 단동위원소 질량
- 846.17253041
이름 및 식별자
- 우선 이름
- (1,5-Cyclooctadiene)bis(methyldiphenylphosphine)iridium(I) hexafluorophosphate
- 영어명
- (1,5-Cyclooctadiene)bis(methyldiphenylphosphine)iridium(I) hexafluorophosphate
- 분자식
- C34H38F6IrP3
- 분자량
- 845.79
이름 및 동의어
methyl(diphenyl)phosphane(bis(methyldiphenylphosphine))(cyclooctadiene)iridium PF6(1,5-Cyclooctadiene)bis(methyldiphenylphosphine)iridium(i)1,5-Cyclooctadienebis(methyldiphenylphosphine)iridium hexafl...(1,5-CYCLOOCTADIENE)BIS(METHYLDIPHENYL-P HOSPHINE)IRIDIUM(I) PF6, 97%1,5-Cyclooctadienebis(methyldiphenylphosphine)iridium hexafluorophosphate1,5-CYCLOOCTADIENE BIS(METHYLDIPHENYLPHOSPHANE) HEXAFLUOROPHOSPHATE IRIDIUM(1,5-Cyclooctadiene)bis(methyldiphenylphosphine)iridium(Ⅰ) hexafluorophosphate(1,5-Cyclooctadiene)bis(methyldiphenylphosphine)iridium(I) hexafluorophosphate(1,5-Cyclooctadiene)bis(methyldiphenylphosphine)iridium(I) hexafluorophosphate,97%
데이터베이스 식별자
- CAS
38465-86-0- PubChem CID
- 5702663
- DTXSID
DTXSID80420661
물성
물리화학적 성질
- 녹는점
- 224 °C · 224 °C (dec.) (lit.)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 용해도
- 2 Cl2; · sol CH2Cl2; insol diethyl ether and hexanes.
- 물리적 상태
- 결정성 분말
- 색상
- 빨간색
- 수용성
- 아세톤에 용해됩니다. 물에 불용성.
- InChI
- 1S/2C13H13P.C8H12.F6P.Ir/c2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-4-6-8-7-5-3-1;1-7(2,3,4,5)6;/h2*2-11H,1H3;1-2,7-8H,3-6H2;;/q;;;-1;+1/b;;2-1-,8-7-;;
- InChIKey
- LXKHQEQLBSJJCO-JXNOXZOESA-N
- SMILES
- [Ir+].F[P-](F)(F)(F)(F)F.C1CC=CCCC=C1.CP(c2ccccc2)c3ccccc3.CP(c4ccccc4)c5ccccc5
화학적 성질
red crystalline powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- HS 번호
- 28439000
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn
- safety_code
- 26-36
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도(1,5-Cyclooctadiene)bis(methyldiphenylphosphine)iridium(I) hexafluorophosphate is an air-stable cationic iridium complex, generally employed in allyl isomerization reactions. Upon bubbling hydrogen into the solution of [Ir(cod)(PPh2Me)2]PF6, preferably in tetrahydrofuran, results in the formation of active catalyst [IrH2(solv)2(PPh2Me)2]PF6 which can be used in the isomerization of 3-(silyloxy)-1-propenylboronates to (γ-(silyloxy)allyl)boronic esters; diallyl ethers to allyl (E)-vinyl ethers and 1-alkenylboronates to corresponding 3-alkoxyallylboronates.
용도(1,5-Cyclooctadiene)bis(methyldiphenylphosphine)iridium(I) Hexafluorophosphate is used as a reagent for isomerization of allylic alcohols and ethers; hydrogenation catalyst.
제조 방법
Preparative Methods of (1,5-Cyclooctadiene)bis(methyldiphenylphosphine)iridium(I) Hexafluorophosphate: to a suspension of [Ir(μ-Cl)(1,5-cod)]2 (0.2 g) in 10 mL of ethanol is added methyldiphenylphosphine (0.2 g) in ethanol. The mixture is stirred for ca. 10 min until the original suspension has dissolved. To this is added excess NH4PF6 in ethanol. After cooling to 0 °C the precipitate is filtered, washed with ethanol and then ether to give the title reagent (0.36 g) as red prisms[1].
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