プロピルホスホン酸無水物

Propylphosphonic anhydride

HCID 111923

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

68957-94-8propylphosphonic anhydride1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxideI6EGD8839NPropanephosphonic acid cyclic anhydrideDTXSID20219011EC 422-210-52,4,6-tri-n-propyl-2,4,6-trioxo-1,3,5,2,4,6-trioxatriphosphorinanePROPYLPHOSPHONIC ANHYDRIDE [MI]PROPANEPHOSPHONIC ACID CYCLIC TRIMER2,4,6-TRIPROPYL-1,3,5-TRIOXA-2,4,6-TRIPHOSPHINANE-2,4,6-TRIOXIDERefChem:869867
名称をさらに表示
プロピルホスホン酸無水物 (環状トリマー) (48% N,N-ジメチルホルムアミド溶液, 約1.6mol/L)プロピルホスホン酸無水物 (環状トリマー) (50%酢酸エチル溶液, 約1.7mol/L)2,4,6-トリプロピル-2,4,6-トリホスファ-1,3,5-トリオキサシクロヘキサン2,4,6-トリオキシド2,4,6-トリプロピル-1,3,5-トリオキサ-2,4,6-トリホスファシクロヘキサン2,4,6-トリオキシド2,4,6-トリプロピル-1,3,5,2,4,6-トリオキサトリホスホリナン2,4,6-トリオキシド1-プロピルホスホン酸水物,状三量体1-プロパンホスホン酸無水物 (環状トリマー) (48% N,N-ジメチルホルムアミド溶液, 約1.6mol/L)1-プロパンホスホン酸無水物 (環状トリマー) (50%酢酸エチル溶液, 約1.7mol/L)2,4,6-トリプロピル-1,3,5,2,4,6-トリオキサトリホスホリナン-2,4,6-トリオキシド (48% N,N-ジメチルホルムアミド溶液, 約1.6mol/L)2,4,6-トリプロピル-1,3,5,2,4,6-トリオキサトリホスホリナン-2,4,6-トリオキシド (50%酢酸エチル溶液, 約1.7mol/L)50% プロピルホスホン酸無水物・酢酸エチル溶液プロピルホスホン酸無水物 溶液プロピルホスホン酸無水物トリプロピル-1,3,5,2,4,6-トリオキサトリホスフィナン-2,4,6-トリイウム-2,4,6-トリス(オラート)2,4,6-トリプロピル-2,4,6-トリホスファ-1,3,5-トリオキサン-2,4,6-トリオキシドT3P1-PROPANEPHOSPHONIC ANHYDRIDEPPACA1-PROPYLPHOSPHONIC ACID CYCLIC ANHYDRIDE2,4,6-Tripropyl-1,3,5,2,4,6-trioxatriphosphinane 2,4,6-trioxidePPAAPROPANE PHOSPHONIC ACID ANHYDRIDE
DTXCID40141502422-210-51-propanephosphonic acid cyclic anhydride2,4,6-Tripropyl-1,3,5,2,4,6-trioxatriphosphorinane-2,4,6-trioxideMFCD00006583propylphosphonic acid anhydride2,4,6-tripropyl-1,3,5,2lambda5,4lambda5,6lambda5-trioxatriphosphinane 2,4,6-trioxide2,4,6-Tripropyl-1,3,5,2,4,6-trioxatriphosphorinane 2,4,6-trioxide

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

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

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 · 6 件

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

Regulatory InformationStatus: Active Update: 30-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20832
Hazard Classes and Categories · 4 件

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

化学と産業

応用分野 · 2 件

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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