基本情報
- CAS
68957-94-8- 標準SMILES
CCCP1(=O)OP(=O)(CCC)OP(=O)(CCC)O1- InChIKey
PAQZWJGSJMLPMG-UHFFFAOYSA-N- 分子式
- C9H21O6P3
- 平均分子量
- 318.18 g/mol
- 単同位体質量
- 318.05509828
名称と識別子
- 優先名称
- Propylphosphonic anhydride
- IUPAC
- 2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
- 現地名
- プロピルホスホン酸無水物
- 英語名
- Propylphosphonic anhydride
- 分子式
- C9H21O6P3
- 分子量
- 318.18
名称と別名
名称をさらに表示
データベース識別子
- CAS
68957-94-8- PubChem CID
- 111923
- DTXSID
DTXSID20219011- UNII
- I6EGD8839N
- EC Number
- 422-210-5、614-857-9
- Nikkaji
- J2.470.446G、J236.605C
物性
構造計算による物性
- XLogP
- 0.9
- 極性表面積
- 78.9 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 6
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 335
物理化学的性質
- 沸点
- 65 °C · 65 °C
- 比重(密度)
- 1.069 g/mL · 1.069 g/mL at 25 °C
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 屈折率
- 20 · n20/D 1.418
- 闪点
- 25 °F · 25 °F
- 貯蔵温度
- Flammables area
- 溶解性
- ジオキサン、テトラヒドロフラン、ジメチルホルムアミド、極性および非プロトン性有機溶媒と混和します。
- 外見
- 解決
- 色
- 澄んだ黄色から茶色がかった
- 水溶解度
- 9.6 g/L · 9.6g/L at 25℃
- BRN
- 5079255 · 5079255
- 安定性
- Moisture Sensitive
- InChI
- 1S/C9H21O6P3/c1-4-7-16(10)13-17(11,8-5-2)15-18(12,14-16)9-6-3/h4-9H2,1-3H3
- InChIKey
- PAQZWJGSJMLPMG-UHFFFAOYSA-N
- SMILES
- CCCP1(=O)OP(=O)(CCC)OP(=O)(CCC)O1
- LogP
- 0 at · 0 at 25℃
- CAS データベース
- 68957 · 68957-94-8(CAS DataBase Reference)
化学的性質
化学的特性Clear light yellow solution
安全と法規制
GHS分類
GHS Classification
Danger
H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Danger
H290 (84.8%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)
危険有害性情報
Hazard Classes and Categories
Met. Corr. 1 (84.8%)
Met. Corr. 1 (50%)
Skin corrosion - category 1B
Skin Corr. 1B
安全データ
- F
- 21
- wgk
- 1
- tsca
- Yes
- rtecs
- XS5250000
- ridadr
- UN 2924 3/PG 3
- hs_code
- 29319019
- risk_code
- 61-20/21-34-67-66-11
- 安衛法
- 有機則 第二種有機溶剤等
- 消防法
- 危-4-2-III
- hazard_code
- T,C,F
- safety_code
- 53-26-36/37/39-45-33-16
- hazard_class
- 8
- packing_group
- II
- Hazard Classifications
- Eye Dam. 1Flam. Liq. 2Met. Corr. 1Skin Corr. 1BSkin Sens. 1STOT SE 3
- ストレージクラス
- 3 - Flammable liquids
化学と産業
応用分野
使用Propylphosphonic anhydride may be used in the following studies:As coupling agent for the synthesis of bispyridine-based ligands, which are used as bridging linkers in multinuclear platinum anticancer drugs.Microwave-assissted Fischer indolization of arylhydrazines.As acid activating agent for the direct synthesis of acid azides from carboxylic acids.One-pot synthesis of coumarins.Microwave-mediated synthesis of carbocyclic and heterocyclic fused quinolones.One-pot synthesis of 1,2,4-oxadiazoles, 1,3,4-oxadiazoles, and 1,3,4-thiadiazoles from carboxylic acids.Activation of the carboxyl group for hydroxyamidation and peptide coupling and in the one-pot conversion of carboxylic acids into hydroxamic acids.
一般的な説明Propylphosphonic anhydride (T3P) is a reactive n-propyl phosphonic acid cyclic anhydride. It is a mild and low toxic coupling agent used in peptide synthesis. T3P also acts as a promoter and water scavenger in the Friedlnder annulation reaction. It participates in the conversion of carboxylic acids and amides into nitriles, formation of Weinreb amides, ester synthesis, dehydrations, oxidation of alcohols, isonitrile synthesis, synthesis of alkenes from alcohols and C-C coupling reactions. T3P delivers outstanding advantages over traditional reagents, such as broad functional group tolerance, low epimerization, and water-soluble by-products and hence gives high purity and yield of the product.
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上流原料
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