ビス[1,2-ビス(ジフェニルホスフィノ)エタン]パラジウム(0)

Bis(1,2-bis(diphenylphosphino)ethane)palladium(0)

HCID 2724231

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 31277-98-2
標準SMILES: [Pd].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIKey: FAFGMAGIYHHRKN-UHFFFAOYSA-N
分子式: C52H48P4Pd
平均分子量: 903.2 g/mol
単同位体質量: 902.17413406

名称と識別子

優先名称: Bis(1,2-bis(diphenylphosphino)ethane)palladium(0)
IUPAC: bis(2-diphenylphosphanylethyl(diphenyl)phosphane);palladium
現地名: ビス[1,2-ビス(ジフェニルホスフィノ)エタン]パラジウム(0)
英語名: Bis[1,2-bis(diphenylphosphino)ethane]palladium(0)
分子式: C52H48P4Pd
分子量: 903.25

名称と別名

Bis[1,2-bis(diphenylphosphino)ethane]palladium(0)bis(1,2-bis(diphenylphosphino)ethane)palladium(0)RefChem:568506625-554-631277-98-2Pd(DIPHOS)2Pd(dppe)22-diphenylphosphanylethyl(diphenyl)phosphane;palladiumMFCD00009880bis(1,2-bis(diphenylphosphino)ethane)-palladium(0)bis[1,2-bis(diphenylphosphino)ethane]-palladium(0)BIS[1,2-BIS(DIPHENYLPHOSPHINO)ETHANE]-PALLADIUM

名称をさらに表示

ビス[1,2-ビス(ジフェニルホスフィノ)エタン]パラジウム(0)ビス[1,2‐ビス(ジフェニルホスフィノ)エタン]パラジウム(0)Bis[1,2-bis(diphenyLphosphino)ethane]paLPd(DIPHOS)2 Pd(dppe)2BisbisdiphenylphosphiBIS(DIPHOS)PALLADIUM(0)Bis[1,2-bis(diphenylphosphino)Bis(DIPHOS)palladium(0), Pd(DIPHOS)2Bis[1,2-bis(diphenylphosphino)ethane]

bis[1,2-bis(diphenylphosphino)ethane]palladiumC52H48P4PdSCHEMBL541082bis[1,2-bis(diphenylphosphino)ethane]palladium (0)2-diphenylphosphanylethyl(diphenyl)phosphane,palladiumDTXSID50369119FAFGMAGIYHHRKN-UHFFFAOYSA-NAKOS015900133

データベース識別子

CAS: 31277-98-2
PubChem CID: 2724231
DTXSID: DTXSID50369119
EC Number: 625-554-6

物性

構造計算による物性

極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 14
重原子数: 57
形式電荷: 0
複雑度: 336

物理化学的性質

融点: 219 · 219-225 °C
貯蔵温度: -20 °C · -20°C
溶解性: sol nonprotic solvents
外見: 粉
色: オレンジ
水溶解度: 不溶性
InChI: InChI=1S/2C26H24P2.Pd/c2*1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h2*1-20H,21-22H2;
InChIKey: UTBLWXFSGOYWOH-UHFFFAOYSA-R
SMILES: P(CCP(C1=CC=CC=C1)C1=CC=CC=C1)(C1C=CC=CC=1)C1=CC=CC=C1.P(CCP(C1=CC=CC=C1)C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.[Pd]
CAS データベース: 31277 · 31277-98-2

化学的性質

化学的特性yellow to orange crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (90.7%)

安全データ

wgk: 3
ridadr: 1479
hs_code: 28439000
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 36-37/39-26
hazard_class: 5.1
packing_group: III
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用Bis[1,2-bis(diphenylphosphino)ethane]palladium(0) is a homogeneous catalyst most widely used in allylic substitution reactions; good catalyst for bulky substrates; slowly dissociating ligand that gives good stereoselectivity.