2-(ジ-tert-ブチルホスフィノ)ビフェニル

2-(Di-tert-butylphosphino)biphenyl

HCID 2734215CAS 224311-51-7

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)(C)P(c1ccccc1-c1ccccc1)C(C)(C)C
InChIKey: CNXMDTWQWLGCPE-UHFFFAOYSA-N
分子式: C20H27P
平均分子量: 298.4 g/mol
単同位体質量: 298.18503749

名称と識別子

優先名称: 2-(Di-tert-butylphosphino)biphenyl
IUPAC: ditert-butyl-(2-phenylphenyl)phosphane
現地名: 2-(ジ-tert-ブチルホスフィノ)ビフェニル
英語名: 2-(Di-tert-butylphosphino)biphenyl
分子式: C20H27P
分子量: 298.4

名称と別名

2-(Di-tert-butylphosphino)biphenyl224311-51-7Johnphos phosphine ligand [MI]UNII-5Y743P380Hdi(tert-butyl)(1,1'-biphenyl-2-yl)phosphine5Y743P380H(1,1'-Biphenyl)-2-ylbis(1,1-dimethylethyl)phosphineBuchwald phosphine ligands, johnphos phosphine ligand-Phosphine, (1,1'-biphenyl)-2-ylbis(1,1-dimethylethyl)-DTXSID50370169PHOSPHINE, [1,1'-BIPHENYL]-2-YLBIS(1,1-DIMETHYLETHYL)-RefChem:84656

名称をさらに表示

2-(ジ-tert-ブチルホスフィノ)ビフェニル(2-ビフェニルイル)ジ-tert-ブチルホスフィン2‐(ジ‐TERT‐ブチルホスフィノ)ビフェニル2-(ジ-T-ブチルホスフィノ)ビフェニル(2-ビフェニル)ジ-TERT-ブチルホスフィンJnhnPhos2-(Di-tert-butylphosphino)-1,1'-biphenyl98% JohnPhosJohnPhos 97%2-(Di-t-butyL

JOHNPHOS PHOSPHINE LIGANDDTXCID80321205607-074-9JohnPhosditert-butyl-(2-phenylphenyl)phosphane(2-Biphenyl)di-tert-butylphosphineBIPHENYL-2-YL-DI-TERT-BUTYL-PHOSPHANE2-(DI-T-BUTYLPHOSPHINO)BIPHENYL

データベース識別子

CAS: 224311-51-7
PubChem CID: 2734215
DTXSID: DTXSID50370169
UNII: 5Y743P380H
EC Number: 607-074-9
Nikkaji: J1.124.970A、J3.246.742C、J3.255.696E

物性

構造計算による物性

XLogP: 5.1
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: 4
重原子数: 21
形式電荷: 0
複雑度: 300

物理化学的性質

融点: 86 · 86-88 °C (lit.)
沸点: 405.5 · 405.5±24.0 °C(Predicted)
比重(密度): 1 g/cm3 · 1 g/cm3
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: クロロホルム（微量）、ジクロロメタン（微量）、DMSO（微量、加熱、ソニック）
外見: 結晶または結晶性粉末
色: 白い
水溶解度: 不溶性
BRN: 8322131 · 8322131
安定性: 空気に敏感
InChI: InChI=1S/C20H27P/c1-19(2,3)21(20(4,5)6)18-15-11-10-14-17(18)16-12-8-7-9-13-16/h7-15H,1-6H3
InChIKey: CNXMDTWQWLGCPE-UHFFFAOYSA-N
SMILES: P(C1=CC=CC=C1C1=CC=CC=C1)(C(C)(C)C)C(C)(C)C
CAS データベース: 224311 · 224311-51-7(CAS DataBase Reference)

化学的性質

化学的特性white to light yellow crystal powde

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (10.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, 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 47 reports by companies from 9 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 (10.6%)

安全データ

F: 10-23
wgk: 3
tsca: No
hs_code: 29029090
risk_code: 36/37/38-22
hazard_code: Xn
safety_code: 36/37/39-26-22
hazard_class: AIR SENSITIVE
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

使用2-(Di-tert-butylphosphino)biphenyl (also known as JohnPhos) is a Buchwald ligand that is highly efficient in palladium-catalyzed reactions.

一般的な説明JohnPhos is a Buchwald′s sterically bulky biaryl phosphine ligand. It is a reactive dialkylbiaryl phosphine ligand which catalyzes the carbon-nitrogen bond-forming reactions. Coordination chemistry of gold catalysts bearing JohnPhos as ligand has been investigated by NMR spectroscopy.