2-Cyanoethyl tetraisopropylphosphorodiamidite (HCID 128153)

名称と識別子

優先名称: 2-Cyanoethyl tetraisopropylphosphorodiamidite
IUPAC: 3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile
現地名: 2-シアノエチルN,N,N',N'-テトライソプロピルホスホロジアミダイト
英語名: 2-Cyanoethyl N,N,N',N'-tetraisopropylphosphorodiamidite
分子式: C15H32N3OP
分子量: 301.41

名称と別名

102691-36-1Cetipd2-Cyanoethyl-N,N,N',N'-tetraisopropylphosphorodiamiditePhosphorodiamidous acid, tetrakis(1-methylethyl)-, 2-cyanoethyl ester2-CYANOETHYL TETRAISOPROPYLPHOSPHORODIAMIDITEDTXSID8075176RefChem:862807DTXCID50327333-((Bis(diisopropylamino)phosphino)oxy)propanenitrileBis(diisopropylamino)(2-cyanoethoxy)phosphine2-CYANOETHYL N,N,N',N'-TETRAISOPROPYLPHOSPHORODIAMIDITEP-Reagent

名称をさらに表示

2-シアノエチルN,N,N',N'-テトライソプロピルホスホロジアミダイト2-シアノエチル-N,N,N’,N’-テトライソプロピルホスホロジアミジト2-シアノエチル N,N,N',N'-テトライソプロピルホスホロジアミダイトビス(ジイソプロピルアミノ)(2-シアノエトキシ)ホスフィン2-シアノエチル N,N,N′,N′-テトライソプロピルホスホロジアミダイトN,N,N′,N′-テトライソプロピルジアミド亜りん酸2-シアノエチルテトライソプロピルジアミド亜りん酸2-シアノエチルビス(ジイソプロピルアミノ)亜ホスフィン酸2-シアノエチル3-[ビス(ジイソプロピルアミノ)ホスフィノオキシ]プロパンニトリル3-({ビス[ビス(プロパン-2-イル)アミノ]ホスファニル}オキシ)プロパンニトリルN,N,N′,N′-テトライソプロピル(2-シアノエトキシ)ホスフィンジアミン3-(ジ(ジイソプロピルアミノ)ホスフィノオキシ)プロパンニトリル3-[ビス(ジイソプロピルアミノ)ホスフィノオキシ]プロピオノニトリル3-[[ビス(ジイソプロピルアミノ)ホスフィノ]オキシ]プロピオノニトリル3-[[ビス(ジイソプロピルアミノ)ホスフィノ]オキシ]プロパンニトリル2-シアノエトキシビス(ジイソプロピルアミノ)ホスフィン(2-シアノエトキシ)ビス(ジイソプロピルアミノ)ホスフィン2-シアノエチル-Ｎ,Ｎ,Ｎ′,Ｎ′-テトライソプロピルホスホロジアミダイト3-Bis(diisopropylamino)phosphanyloxypropanenitrileTHERAPEUTIC GRADE PHOS REAGENTTETRAISOPROPYLPHOSPHORODIAMIDITE94.0%(GC&

2-Cyanoethyl N,N,N',N'-tetraisopropylphosphordiamiditeMFCD00012213C15H32N3OPPhosphorodiamidous acid, N,N,N',N'-tetrakis(1-methylethyl)-, 2-cyanoethyl ester2-Cyanoethyl N,N,N',N'-Tetraisopropylphosphoramidite3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile3-(bis(diisopropylamino)phosphinooxy)propanenitrile3-((Bis(diisopropylamino)phosphino)oxy)-propanenitrile

データベース識別子

CAS: 102691-36-1
PubChem CID: 128153
DTXSID: DTXSID8075176
UNII: 8P2H5F3TEA
EC Number: 600-337-9
Nikkaji: J738.473D

物性

構造計算による物性

XLogP: 3.3
極性表面積: 39.5 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 9
重原子数: 20
形式電荷: 0
複雑度: 273

物理化学的性質

沸点: 100 °C0.5 · 100 °C0.5 mm Hg(lit.)
比重(密度): 0.949 g/mL · 0.949 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.470(lit.)
闪点: 141 °F · 141 °F
貯蔵温度: -20 °C · -20°C
溶解性: Acetonitrile (Slightly), Benzene, Chloroform (Sparingly), Methanol (Slightly)
外見: 液体
酸解離定数(Pka): 6.78 · 6.78±0.70(Predicted)
色: 無色
BRN: 3590103 · 3590103
安定性: 加熱すると爆発する
InChI: 1S/C15H32N3OP/c1-12(2)17(13(3)4)20(19-11-9-10-16)18(14(5)6)15(7)8/h12-15H,9,11H2,1-8H3
InChIKey: RKVHNYJPIXOHRW-UHFFFAOYSA-N
SMILES: CC(C)N(C(C)C)P(OCCC#N)N(C(C)C)C(C)C
LogP: 4.04 at · 4.04 at 20℃
CAS データベース: 102691 · 102691-36-1(CAS DataBase Reference)
EPAの化学物質情報: Phosphorodiamidous acid, tetrakis(1-methylethyl)-, 2-cyanoethyl ester (102691-36-1)

化学的性質

化学的特性Clear to Cloudy Colourless Liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (97.2%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 179 reports by companies from 12 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: 01-08-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/25176

Phosphorodiamidous acid, tetrakis(1-methylethyl)-, 2-cyanoethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (97.2%)

安全データ

F: 10-21-34
wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 29299000
risk_code: 5-36/37/38-42/43-36/38
消防法: 危-4-2-III
hazard_code: Xi,Xn
hazard_note: Irritant/May Explode on Heating
safety_code: 3-26-36-24/25-23-45-36/37
hazard_class: 8
packing_group: I
毒劇物取締法: 劇物
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Flam. Liq. 3Skin Sens. 1B
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 2 件

説明2-Cyanoethyl N,N,N',N'-tetraisopropylphosphorodiamidite is a colorless viscous liquid, which is soluble in most organic solvents. It is a widely used phosphitylating reagent for the preparation of various phosphorylated biomolecules, such as nucleoside carbohydrate conjugates, phospholipids and glycopeptides. In particular, this reagent is highly effective for automated solid-phase DNA/RNA oligonucleotide synthesis. It has shown great utility in the coupling of nucleobases or carbohydrates via their phosphotriesters in the presence of activators such as 1H-tetrazole, in moderate yields under mild conditions.This compound is cheaper and more stable than 2-cyanoethyl N,N-diisopropylchlorophosphorodiamidite (the other commonly used phosphinylating reagent)[1].

使用Reagent for synthesizing phosphitylated nucleotides.1