基本情報
- 標準SMILES
c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1- InChIKey
LCSNDSFWVKMJCT-UHFFFAOYSA-N- 分子式
- C24H31P
- 平均分子量
- 350.5 g/mol
- 単同位体質量
- 350.21633799
名称と識別子
- 優先名称
- 2-(Dicyclohexylphosphino)biphenyl
- IUPAC
- dicyclohexyl-(2-phenylphenyl)phosphane
- 現地名
- 2-(ジシクロヘキシルホスフィノ)ビフェニル
- 英語名
- 2-(Dicyclohexylphosphino)biphenyl
- 分子式
- C24H31P
- 分子量
- 350.48
名称と別名
名称をさらに表示
データベース識別子
- CAS
247940-06-3- PubChem CID
- 2734216
- DTXSID
DTXSID60370170- EC Number
- 480-030-2、607-439-2
- Nikkaji
- J1.200.103G、J3.476.307K
物性
構造計算による物性
- XLogP
- 6.7
- 極性表面積
- 0 Ų
- 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
- 25
- 形式電荷
- 0
- 複雑度
- 356
物理化学的性質
- 融点
- 102 · 102-106 °C(lit.)
- 沸点
- 499.5 · 499.5±24.0 °C(Predicted)
- 貯蔵温度
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 溶解性
- soluble in Toluene
- 外見
- 結晶
- 色
- 白い
- BRN
- 8440533 · 8440533
- InChI
- InChI=1S/C24H31P/c1-4-12-20(13-5-1)23-18-10-11-19-24(23)25(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1,4-5,10-13,18-19,21-22H,2-3,6-9,14-17H2
- InChIKey
- LCSNDSFWVKMJCT-UHFFFAOYSA-N
- SMILES
- P(C1=CC=CC=C1C1=CC=CC=C1)(C1CCCCC1)C1CCCCC1
- CAS データベース
- 247940 · 247940-06-3(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
Warning
H315 (13.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (13.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (13.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H413 (88.9%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Hazard Classes and Categories
Skin Irrit. 2 (13.3%);Eye Irrit. 2 (13.3%);STOT SE 3 (13.3%);Aquatic Chronic 4 (88.9%)
Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);STOT SE 3 (100%);Aquatic Chronic 4 (100%)
法規制情報
安全データ
- F
- 10-13-23
- wgk
- 3
- tsca
- No
- hs_code
- 29310099
- risk_code
- 36/37/38-22
- hazard_code
- Xn
- safety_code
- 36/37/39-26
- hazard_class
- AIR SENSITIVE
- Hazard Classifications
- Aquatic Chronic 4
- ストレージクラス
- 11 - Combustible Solids
化学と産業
応用分野
説明2-(Dicyclohexylphosphino)biphenyl is a ligand for the amination of triflates and aryl halides. Optimal ligand for a novel amination reaction (Buchwald reaction)(2) 2-(Dicyclohexylphosphino)biphenyl, a synthetic chemical compound, has found diverse applications in scientific research. Being a cyclic phosphonate derivative of cyclohexanol, this colourless, odourless, and tasteless solid holds a distinct appeal for laboratory use. In scientific research, 2-(Dicyclohexylphosphino)biphenyl has proven invaluable. It serves as an excellent model compound for delving into protein-ligand interactions, thus aiding in studying small molecule effects on protein folding. Moreover, researchers have utilized 2-(Dicyclohexylphosphino)biphenyl to gain insights into protein structures and unravel the mechanism of action behind various drugs. Additionally, the compound has been a vital tool in assessing how environmental factors influence protein structure and function. The interaction between 2-(Dicyclohexylphosphino)biphenyl and proteins primarily occurs through hydrogen bonding and hydrophobic interactions, resulting in high-affinity and specific protein binding.
使用2-(Dicyclohexylphosphino)biphenyl is used as a catalyst for Suzuki coupling reactions.
一般的な説明CyJohnPhos [(2-Biphenyl)dicyclohexylphosphine] is an air-stable, bulky and electron-rich monodentate biarylphosphine ligand developed by the Buchwald group to enhance the reactivity of palladium catalysis during cross-coupling reactions.
上流・下流製品情報
上流原料
サプライヤー50 社
関連反応
関連ノート
読み込み中…