トリス(2-メチルフェニル)ホスフィン

Tri-o-tolylphosphine

HCID 80271CAS 6163-58-2

基本情報

標準SMILES
Cc1ccccc1P(c1ccccc1C)c1ccccc1C
InChIKey
COIOYMYWGDAQPM-UHFFFAOYSA-N
分子式
C21H21P
平均分子量
304.4 g/mol
単同位体質量
304.1380873

名称と識別子

優先名称
Tri-o-tolylphosphine
IUPAC
tris(2-methylphenyl)phosphane
現地名
トリス(2-メチルフェニル)ホスフィン
英語名
Tri(o-tolyl)phosphine
分子式
C21H21P
分子量
304.37

名称と別名

Tri-o-tolylphosphine6163-58-2Phosphine, tris(2-methylphenyl)-Phosphine, tri-o-tolyl-tri-o-TolyphosphineTris-o-tolyphosphine5M32DK8XA8NSC-116667DTXSID9064130RefChem:900417DTXCID1043091228-193-9
名称をさらに表示
トリス(2-メチルフェニル)ホスフィントリス(o-トリル)ホスフィン1-[ビス(2-メチルフェニル)ホスフィノ]-2-メチルベンゼントリ(o-トリル)ホスフィントリ(2-メチルフェニル)ホスフィントリス-o-トリルホスフィントリ-o-トリルホスフィントリス(o-メチルフェニル)ホスフィン1-メチル-2-(ジ-o-トリルホスフィノ)ベンゼントリオルトトリルホスフィントリoトリルホスフィントリ‐O‐トリルホスフィントリ(O-トリル)ホスフィン, 98+%P(o-tol)3P(o-tolyl)3Tri-ortho-tolylphosphineTris(o-methylphenyl)phosphine
Tri(o-tolyl)phosphineTris(2-methylphenyl)phosphinetris(2-methylphenyl)phosphaneTris(o-tolyl)phosphineTRI(2-METHYLPHENYL)PHOSPHINEtri-o-tolylphosphanetritolylphosphineTri-ortho-toylphosphine

データベース識別子

CAS
6163-58-2
PubChem CID
80271
DTXSID
DTXSID9064130
UNII
5M32DK8XA8
EC Number
228-193-9
Nikkaji
J209.007D

物性

構造計算による物性

XLogP
5.7
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
3
重原子数
22

実験および物理化学的性質

Chemical ClassesOther Classes -> Phosphorus Compounds
SpringerMaterials PropertiesCrystal structure
Physical DescriptionBeige crystalline solid; [Sigma-Aldrich MSDS]

物理化学的性質

融点
123 · 123-125 °C(lit.)
沸点
412.4 · 412.4±44.0 °C(Predicted)
比重(密度)
1.16 · 1.16[at 20℃]
蒸気圧
0 Pa · 0Pa at 20℃
闪点
198 °C · 198°C (388°F)
貯蔵温度
30 °C · Store below +30°C.

化学的性質

化学的特性white to light yellow crystal powder.

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 0.9% (1 of 113) of reports.

Warning

H315 (89.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 113 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 10-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24651

Tri(o-tolyl)-phosphine: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See Triphenylphosphine.
Hazard Classes and CategoriesSkin Irrit. 2 (89.4%)

安全データ

F
10-23
wgk
3
tsca
TSCA listed
hs_code
29319090
risk_code
36/37/38
化審法
(3)-4357

化学と産業

用途と製造

General Manufacturing InformationPhosphine, tris(2-methylphenyl)-: ACTIVE
応用分野 · 2 件

用途有機合成原料。

使用Tri(o-tolyl)phosphine is used in a ruthenium-catalyzed direct amination of alcohols. It is also used in Suzuki reaction. Further, it is used in the preparation of tri-ortho-phosphinselenide by reacting with selenium as a reagent. In addition to this, it acts as a ligand in coordination chemistry.

調製方法 · 2 件

製造方法Tri(o-tolyl)phosphine can be obtained by the reduction of tris(o-tolyl)phosphine oxide or prepared by the 2-bromotoluene Grignard reaction.Procedure: To a solution of magnesuim turnings (3.11 g, 128 mmol, 3.5 equiv) in THF (50 mL) was added a small amount of 2-bromotoluene (1 mL) and 1 iodine crystal. The reaction vessel was heated until initiation occurred, where upon a solution of the remaining 2-bromotoluene (20 g, 117 mmol, 3.2 equiv in total) in THF (100 mL) was added. The reaction was set to reflux for 2 hours (colour change to black solution), after which it was cooled to 0 oC and a solution of phosphorus trichloride (5.01 g, 36.5 mmol, 1 equiv) in THF (30 mL) was added dropwise. Upon addition completion the reaction was set to reflux for 18 hours. The reaction was allowed to cool to room temperature, whereupon NH4Cl solution was added with care. The resulting solution was extracted with ether (3 x 100 mL), dried over MgSO4, filtered and concentrated in vacuo. The resulting white solid was recrystalised from ethanol to yield Tri(o-tolyl)phosphine as a white solid. (6.8 g, 62 %)

純化方法It crystallises from EtOH [Boert et al. J Am Chem Soc 109 7781 1987]. [Beilstein 16 III 835.]

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