HCID11155794

2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane

C33H49P476.7 g/molCAS 564483-18-7

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IDENTITY

结构与身份

标准SMILES: CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1
InChIKey: UGOMMVLRQDMAQQ-UHFFFAOYSA-N
分子式: C33H49P
平均分子量: 476.7 g/mol
单同位素质量: 476.35718856

IDENTITY

标识信息

英文名: X-PHOS
分子式: C33H49P
分子量: 476.72

ALIASES

名称与别名

-三异丙基联苯阿贝西利杂质31阿贝西利杂质392-二环己基膦-2,4,62-二环己基磷-2'2-二环己基磷-2,4,6-三异丙2-环己基-2,4,6-三异丙基联苯X-PHOS,CHEMDOSE? 片2-环己基膦-1,3,5-三异丙基联苯CHEMDOSE?,X-PHOS 浸渍片dicyclohexyl(2',4',6'-triisopropyl-[1,1'-biphenyl]-2-yl)phosphane2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl2-(Dicyclohexylphosphanyl)-2',4',6'-tris(isopropyl)biphenyl5-BROMO-4-CHLORO-3-INDOLYL PHOSPHATE2-Dicyclohexylphosphino-22-Dicyclohexylphosphino-2,4,6-triisopropylbiphenylDicyclohexyl(2',4',6'-triisopropylbiphenyl-2-yl)phosphineX-PH0S2-(Dicyclohexylphosphino)-2',4',6'-tri-i-propyl-1,1'-biphenyldicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane

PROPERTIES

物理化学性质

熔点: 187 · 187-190 °C(lit.)
沸点: 569.8 · 569.8±50.0 °C(Predicted)
储存条件: Inert atmosphere,Room Temperature
溶解度: Benzene (Slightly)
形态: Powder
颜色: white
敏感性: Air Sensitive
稳定性: Air Sensitive
InChI: 1S/C33H49P/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3
InChIKey: UGOMMVLRQDMAQQ-UHFFFAOYSA-N
SMILES: P(C1CCCCC1)(C1CCCCC1)C1=CC=CC=C1C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C
CAS 数据库: 564483 · 564483-18-7(CAS DataBase Reference)

SAFETY

安全数据

TSCA: No
WGK Germany: 3
存储类别: 13 - Non Combustible Solids
安全说明: 37/39-26-36/37
海关编码: 29319090
危险品标志: Xn
危险类别码: 36/37/38-22-40

PRICE

试剂价格

D5038 · 1g: 2-二环己基膦-2',4',6'-三异丙基联苯2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl — 640元
D5038 · 5g: 2-二环己基膦-2',4',6'-三异丙基联苯2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl — 1990元

REFERENCE

应用领域

简介2-二环己基膦-2',4',6'-三异丙基联苯是一种单膦配体，它可与多种过渡金属发生配位，在化学合成领域中常用于钯催化Suzuki偶联反应，迈克尔加成反应等，在基础化学研究领域中有广泛的应用。

用途2-二环己基膦-2',4',6'-三异丙基联苯(XPHOS)用作合成新型[1,2,4]三唑并[4,3-a]吡嗪衍生物的再生剂，作为潜在的选择性c-met抑制剂，具有更好的药代动力学特性。

用途偶联反应中，催化体系中配体成份

用途用作钯催化Suzuki偶联反应的配体，生成文朵灵的C-15类似物；用于钯催化2-卤代苯胺直接环化生成吲哚和色氨酸；区域规则性聚噻吩的合成。用于深入研究芳烃磺酸酯、芳基卤的钯催化胺化和酰胺化反应的配体

UPSTREAM / DOWNSTREAM

上下游产品信息

上游原料

2-溴氯苯二环己基氯化膦四氯化碳对苯二酚四氢呋喃1,3,5-三异丙基苯乙酸乙酯氯化亚铜Government regulation二氯甲烷甲醇铁粉镁2-溴-1,3,5-三异丙苯

下游产品

XPhos Pd G4氯(2-二环己基膦基-2',4',6'-三异丙基-1,1'-联苯)[2-(2-氨基乙基苯基)]钯(II)2-二环己基膦-2',4',6'-三异丙基联苯试剂级价格

COMPUTED

结构计算性质

XLogP: 10.1
极性表面积: 0 Å²
氢键供体: 0
氢键受体: 0
可旋转键: 7
重原子: 34
形式电荷: 0
复杂度: 545

GHS

GHS分类

GHS Classification

This chemical does not meet GHS hazard criteria for 35.2% (38 of 108) of reports.

Warning

H302+H312+H332 (21.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (26.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (21.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (59.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (59.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (21.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (58.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H413 (25.9%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 108 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 38 of 108 reports by companies.；There are 13 notifications provided by 70 of 108 reports by companies with hazard statement code(s).；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.

HAZARDS

危害信息

Hazard Classes and Categories

Acute Tox. 4 (26.9%)；Acute Tox. 4 (21.3%)；Skin Irrit. 2 (59.3%)；Eye Irrit. 2 (59.3%)；Acute Tox. 4 (21.3%)；STOT SE 3 (58.3%)；Aquatic Chronic 4 (25.9%)

ALIASES

名称与别名

共 122 条

564483-18-7X-PhosXphos phosphine ligand [MI]2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenylR271FU23T8(2',4',6'-triisopropyl-1,1'-biphenyl-2-yl)dicyclohexylphosphineBuchwald phosphine ligands, xphos phosphine ligand-DTXSID504571262-(DICYCLOHEXYLPHOSPHINO)-2',4',6'-TRI(ISOPROPYL)BIPHENYLPhosphine, dicyclohexyl(2',4',6'-tris(1-methylethyl)(1,1'-biphenyl)-2-yl)-PHOSPHINE, DICYCLOHEXYL[2',4',6'-TRIS(1-METHYLETHYL)[1,1'-BIPHENYL]-2-YL]-RefChem:471294XPHOS PHOSPHINE LIGANDDTXCID10407945XPhos2-(Dicyclohexylphosphino)-2',4',6'-triisopropylbiphenyl2-(Dicyclohexylphosphino)-2',4',6'-tri-i-propyl-1,1'-biphenyl2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenylMFCD04117682dicyclohexyl(2',4',6'-triisopropyl-[1,1'-biphenyl]-2-yl)phosphine

REACTIONS