tricyclohexylphosphane

• ChemBase编号: 112390
• 分子式: C18H33P
• 平均质量: 280.428381
• 单一同位素质量: 280.23198769
• SMILES: C1CCC(CC1)P(C1CCCCC1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)P(C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C18H33P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-18H,1-15H2
• InChIKey: WLPUWLXVBWGYMZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tricyclohexylphosphane
• IUPAC传统名: tricyclohexylphosphine
• 别名: 三环己基膦; 三环己基磷; 三环己基磷 溶液; TRICYCLOHEXYL PHOSPHINE; P(Cy)3; Tricyclohexylphosphine; P(Cy)₃; PCy₃; Tricyclohexylphosphine; NSC 158657; PCy3; Tricyclohexylphosphine solution

登记号

• CAS号: 2622-14-2
• EC号: 220-069-2
• MDL号: MFCD00003853
• Beilstein号: 957171
• PubChem SID: 24855848; 162097241; 24881380; 24881388; 24869033
• PubChem CID: 75806
• 维基百科标题: Tricyclohexylphosphine

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.93183
• LogD (pH = 7.4): 4.931908
• Log P: 5.1701
• 摩尔折射率: 89.9952 cm^3
• 极化性: 34.44912 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: organic solvents
• 外观: Crystalline; white solid
• 熔点: 76-78 °C; 76-78°C; 81-83 °C(lit.); 82 °C
• 闪点: 11 °C; -20 °C; 39.2 °F; 4 °C; -4 °F; 51.8 °F
• 密度: 0.901 g/mL at 25 °C; 0.909 g/mL at 25 °C
• 作为配体的用途: Heck Reaction; Hiyama Coupling; Sonogashira Coupling; Suzuki-Miyaura Coupling

安全信息

• 保存注意事项: Air Sensitive
• 欧盟危险性物质标志: 易燃性(Flammable) (F); X; 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1294; 2056
• 德国WGK号: 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 11-19-36/37/38; 22-36/37/38; 36/37/38; 63-11-36/37/38-48/20-65-67
• 安全公开号: 16-26; 16-26-36/37-62; 26-36; 26-36/37
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS06; GHS07; GHS08
• GHS警示词: Danger; Warning
• 主要危害: toxic
• GHS危险声明: H225-H304-H315-H319-H335 + H336-H361d-H373; H225-H315-H319-H335; H301-H315-H319-H335; H315-H319-H335
• GHS警示性声明: P210-P261-P281-P301 + P310-P305 + P351 + P338-P331; P210-P261-P305 + P351 + P338; P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1294 3/PG 2; UN 2056 3/PG 2
• 欧盟补充危害声明: May form explosive peroxides.
• 保存温度: -20°C

产品相关信息

• 纯度: ≥90% (GC); 95%; 96%
• 浓度: 1 M in THF; 1 M in toluene; 20 wt. % in toluene
• 级别: technical
• 线性分子式: (C6H11)3P

详细说明

MP Biomedicals - 05223709

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 261971

Application
用于丙二腈与芳基卤化物的钯催化偶联反应的配体。1大位阻膦配体，与 Pd(0)-三烯酸大环催化剂一起用于芳基溴化物和氯化物的 Suzuki 偶联反应。2
该配体与镍可用作形成环戊烷化合物的关键中间体。
包装
1, 5, 25 g in glass bottle

Sigma Aldrich - 455164

Application
Reagent used as a ligand for a range of metal-catalyzed organic transformations.
Catalyst for:
• Carbonylative Suzuki-coupling of benzyl halides with potassium aryltrifluoroborates1
• Suzuki-Miyaura reactions of aryl sulfonates / halides with arylboronic acids2
• Synthesis of an acromelic acid A analog based 11C-labeled PET tracer3
• Synthesis of (-)-Exiguolide and its analogues4
• Allylation of zinc enolates5
包装
100, 500 g in glass bottle

Sigma Aldrich - 592285

包装
100 mL in Sure/Seal™
Application
Catalyst for:
• Carbonylative Suzuki-coupling of benzyl halides with potassium aryltrifluoroborates1
• Suzuki-Miyaura reactions of aryl sulfonates / halides with arylboronic acids2
• Synthesis of an acromelic acid A analog based 11C-labeled PET tracer3
• Synthesis of (-)-Exiguolide and its analogues4
• Allylation of zinc enolates5

Sigma Aldrich - 592390

包装
100 mL in Sure/Seal™
Application
Catalyst for:
• Carbonylative Suzuki-coupling of benzyl halides with potassium aryltrifluoroborates1
• Suzuki-Miyaura reactions of aryl sulfonates / halides with arylboronic acids2
• Synthesis of an acromelic acid A analog based 11C-labeled PET tracer3
• Synthesis of (-)-Exiguolide and its analogues4
• Allylation of zinc enolates5