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(t-Bu)PhCPhos
2-(t-ButyL · 98% (t-Bu)PhCPhos · phosphino)-2',6'-dimethyL · 2-Dibutylphosphine-2',6'-dimethylamine-1,1'-biphenyl · 2-(t-Butylphenylphosphino)-2',6'-dimethylamino-1,1'-biphenyl · 2-Tert-butyl(phenyl)phosphine-2',6'-dimethylamine-1,1'-biphenyl · 2-(t-Butylphenylphosphino)-2',6'-dimethylamino-1,1'-biphenyl,98% · 2-(t-Butylphenylphosphino)-2',6'-dimethylamino-1,1'-biphenyl, 98%
識別子と物理属性
| CAS No. | 1660153-91-2 |
|---|---|
| 分子式 | C26H33N2P |
| 平均分子量 | 404.5 g/mol |
| 単同位体質量 | 404.23813606 g/mol |
| SMILES | CN(C)c1cccc(N(C)C)c1-c1ccccc1P(c1ccccc1)C(C)(C)C |
| InChIKey | HTHOMNNVAUPLKK-UHFFFAOYSA-N |
| PubChem CID | 121237783 |
| EC No. | 110-484-6 |
化学・物理的性質
| XLogP | 5.9 |
|---|---|
| 極性表面積 | 6.5 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 6 |
| 重原子数 | 29 |
| 形式電荷 | 0 |
| 複雑度 | 475 |
| 融点 | 112 °C |
| 沸点 | 537.6±50.0 °C(Predicted) |
| pKa（酸解離定数） | 5.00±0.28(Predicted) |
| 外観・状態 | 粉 |
| 色 | ホワイトからオフホワイト |
| InChI | InChI=1S/C26H33N2P/c1-26(2,3)29(20-14-9-8-10-15-20)24-19-12-11-16-21(24)25-22(27(4)5)17-13-18-23(25)28(6)7/h8-19H,1-7H3 |
| InChIKey | HTHOMNNVAUPLKK-UHFFFAOYSA-N |
| SMILES | C1(C2=CC=CC=C2P(C(C)(C)C)C2=CC=CC=C2)=C(N(C)C)C=CC=C1N(C)C |
安全性と法規制
| GHS 分類 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 水環境危害等級（WGK） | WGK 3 |
| 危険等級 | Aquatic Chronic 4Eye Irrit. 2Skin Irrit. 2 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
使用
(t-Bu)PhCPhos is the Pd G3 complex, from the Buchwald group offers best-in-class performance in the arylation of sterically hindered primary amines.