基本情報
- 標準SMILES
CP(C)C- InChIKey
YWWDBCBWQNCYNR-UHFFFAOYSA-N- 分子式
- C3H9P
- 平均分子量
- 76.08 g/mol
- 単同位体質量
- 76.04418692
概要
Trimethylphosphine is a tertiary phosphine.
名称と識別子
- 優先名称
- Trimethylphosphine
- IUPAC
- trimethylphosphane
- 現地名
- トリメチルホスフィン
- 英語名
- Trimethylphosphine
- 分子式
- C3H9P
- 分子量
- 76.08
名称と別名
名称をさらに表示
データベース識別子
- CAS
594-09-2- PubChem CID
- 68983
- DTXSID
DTXSID00208120- ChEBI
CHEBI:35890- UNII
- 5FL6SQK9H3
- EC Number
- 209-823-1
- Nikkaji
- J466I
物性
構造計算による物性
- XLogP
- -0.1
- 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
- 0
- 重原子数
- 4
- 形式電荷
- 0
- 複雑度
- 8
実験および物理化学的性質
Ionization Efficiency
Positive
0.29
5.53
Agilent XCT
Electrospray ionization
ammonium acetate (4nM)
物理化学的性質
- 融点
- -86 °C · -86 °C (lit.)
- 沸点
- 38 · 38-40 °C (lit.)
- 比重(密度)
- 0.738 g/mL · 0.738 g/mL at 20 °C (lit.)
- 蒸気圧
- 7.24 psi · 7.24 psi ( 20 °C)
- 屈折率
- 20 · n20/D 1.428(lit.)
- 闪点
- 4 °F · −4 °F
- 貯蔵温度
- 2 · 2-8°C
- 外見
- 液体
- 比重
- 0.748 · 0.748
- 色
- 無色
- 水溶解度
- 水に溶ける。
- BRN
- 969138 · 969138
- InChI
- 1S/C3H9P/c1-4(2)3/h1-3H3
- InChIKey
- YWWDBCBWQNCYNR-UHFFFAOYSA-N
- SMILES
- CP(C)C
- CAS データベース
- 594 · 594-09-2(CAS DataBase Reference)
- NISTの化学物質情報
- Phosphine, trimethyl-(594-09-2)
化学的性質
化学的特性Clear colorless liquid
安全と法規制
GHS分類
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
安全と保護具
Protective Action Criteria (PAC)
12 [mg/m3]
130 [mg/m3]
790 [mg/m3]
毒性情報
安全データ
- F
- 10-13-23
- wgk
- 3
- ridadr
- UN 1993 3/PG 2
- hs_code
- 29319090
- risk_code
- 11-36/37/38-67-65-63-48/20-38-17-40-36/37-19
- 消防法
- 危-4-特-I
- hazard_code
- F,Xn,Xi
- safety_code
- 9-16-26-36/37/39-62-36/37-7/9-33
- hazard_class
- 4.2
- packing_group
- I
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 3 - Flammable liquids
化学と産業
応用分野
解説P(CH3)3(76.08).トリアルキルホスフィンの一種.トリメチルホスフィンは,三塩化リンとメチルリチウムまたはヨウ化メチルマグネシウムとの反応で合成される.無色の液体.融点-88 ℃,沸点37~38 ℃.悪臭を放ち有毒である.有機溶媒に可溶.空気に触れると発火し,ゆっくり酸化すると酸化トリメチルホスフィンになる.二硫化炭素,三塩化ホウ素と付加物をつくる.遷移金属錯体の配位子として使われる.森北出版「化学辞典(第2版)
使用Trimethylphosphine (PMe3) is an electron-rich phosphine ligand used as a reagent in Mitsunobu reaction.It can be used:In transformation of azides into carbamates; aziridines to azidoalcohols; and ketoximes to ketones with 2,2′-dipyridyl diselenide.In Aza-Wittig reaction;, C-H bond activation of imines; cross-coupling reactions.In the preparation of (cyanomethylene) trimethylphosphorane (CMMP) which is used as a reagent in Mitsunobu type reaction.As a reagent in the synthesis of ruthenium trimethylphosphine complexes, which in turn are used as catalysts for hydrogenation of CO2 to formic acid.
一般的な説明Trimethylphosphine is the reagent used in Mitsunobu reaction. It participates in the transformation of azides into carbamates, aziridines from azidoalcohols, iminophosphoranes and aza-Wittig reaction. Electron diffraction study of trimethylphosphine has been reported.
調製方法
純化方法All operations should be carried out in an efficient fume cupboard because it is flammable, toxic and has a foul odor. Distil trimethylphosphine at atmospheric pressure in a stream of dry N2 (apparatus should be held together with springs to avoid loss of gas from increased pressure in the system) and the distillate run into a solution of AgI in aqueous KI whereby the silver complex [Me3PAgI]4 separates steadily. Filter off the complex, wash it with saturated aqueous KI solution, then H2O and dry it in a vacuum desiccator over P2O5. The dry complex is heated in a flask (in a stream of dry N2) in an oil bath at 140o, when pure Me3P distils off (bath temperature can be raised up to 260o). The vapour pressure of Me3P at 20o is 466mm and the b is 37.8o [Thomas & Eriks Inorg Synth IX 59 1967]. Alternatively, freshly distilled Me3P (6g) is shaken with a solution of AgI (13.2g, 1.1mol) in saturated aqueous KI solution (50mL) for 2hours. A white solid, not wetted with H2O, separates rapidly. It is collected, washed with the KI solution, H2O, and dried [Mann et al. J Chem Soc 1829 1937]. The silver complex is stable if kept dry in the dark, in which state it can be kept indefinitely. Me3P can be generated from the complex when required. Store it under N2 in a sealed container. It has been distilled in a vacuum line at -78o in vacuo and condensed at -96o [IR and NMR: Crosbie & Sheldrick J Inorg Nucl Chem 31 3684 1969]. The pK2 2 by NMR was 8.80 [Silver & Lutz J Am Chem Soc 83 786 1961, pK2 5 8.65: Henderson & Strueuli J Am Chem Soc 82 5791 1960].
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