ジアリルN,N-ジイソプロピルホスホロアミダイト

Diallyl diisopropylphosphoramidite

HCID 4686855

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 126429-21-8
標準SMILES: C=CCOP(OCC=C)N(C(C)C)C(C)C
InChIKey: QBLCHHSGJTUNSJ-UHFFFAOYSA-N
分子式: C12H24NO2P
平均分子量: 245.3 g/mol
単同位体質量: 245.15446564

名称と識別子

優先名称: Diallyl diisopropylphosphoramidite
IUPAC: N-bis(prop-2-enoxy)phosphanyl-N-propan-2-ylpropan-2-amine
現地名: ジアリルN,N-ジイソプロピルホスホロアミダイト
英語名: DIALLYL N,N-DIISOPROPYLPHOSPHORAMIDITE
分子式: C12H24NO2P
分子量: 245.3

名称と別名

diallyl diisopropylphosphoramiditeRefChem:586169625-730-2126429-21-8Diallyl N,N-diisopropylphosphoramiditeN-bis(prop-2-enoxy)phosphanyl-N-propan-2-ylpropan-2-amineMFCD00216647Phosphoramidous acid, N,N-bis(1-methylethyl)-, di-2-propen-1-yl esterSCHEMBL386395DIALLYLN,N-DIISOPROPYLPHOSPHORAMIDITEDTXSID20405573AKOS015895011

名称をさらに表示

ジアリルN,N-ジイソプロピルホスホロアミダイトDiallyloxy(diisopropylamino)phosphineHexadiene N, N-diisopropylphosphoramidedienepropyldisopropylisophosphorusamidebis(allyloxy)-(diisopropylamino)-phosphineN,N-Bis(1-methylethyl)phosphoramidous acid di-2-propenyl ester

di-allyl-N,N-diisopropylphosphoramiditeDiallyl N,N-di isopropyl phosphoramiditebis(allyloxy)(diisopropylamino)phosphine[bis(prop-2-en-1-yloxy)phosphanyl]bis(propan-2-yl)aminePhosphoramidous acid, bis(1-methylethyl)-, di-2-propenyl esterFT-0756764diallyldiisopropylphosphoramiditeC12H24NO2P

データベース識別子

CAS: 126429-21-8
PubChem CID: 4686855
DTXSID: DTXSID20405573
EC Number: 625-730-2
Nikkaji: J1.108.929A

物性

構造計算による物性

XLogP: 3.1
極性表面積: 21.7 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 9
重原子数: 16
形式電荷: 0
複雑度: 187

物理化学的性質

沸点: 130 °C · 130 °C(lit.)
比重(密度): 0.928 g/mL · 0.928 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.456(lit.)
闪点: 90 °F · 90 °F
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 4.96 · 4.96±0.70(Predicted)
外見: liquid
BRN: 4383514 · 4383514
InChI: InChI=1S/C12H24NO2P/c1-7-9-14-16(15-10-8-2)13(11(3)4)12(5)6/h7-8,11-12H,1-2,9-10H2,3-6H3
InChIKey: QBLCHHSGJTUNSJ-UHFFFAOYSA-N
SMILES: P(N(C(C)C)C(C)C)(OCC=C)OCC=C

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): Flammable liquid and vapor [Warning 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

F: 1-10
wgk: 3
ridadr: UN 1993 3/PG 3
risk_code: 10-36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 1 件

使用Diallyl N,N-diisopropylphosphoramidite is a reagent used in the synthesis of Leustroducsin B that exhibits large variety of biological activities. It also acts as a reagent in the synthesis of water-soluble prodrugs of triazole CS-758 with antifungal activities.