(7-アザベンゾトリアゾール-1-イルオキシ)トリピロリジノホスホニウムヘキサフルオロりん酸塩

((7-Azabenzotriazol-1-YL)oxy)tris(pyrrolidino)phosphonium hexafluorophosphate

HCID 11038641CAS 156311-83-0

部分構造検索類似構造を探す

基本情報

標準SMILES: F[P-](F)(F)(F)(F)F.c1cnc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1
InChIKey: CBZAHNDHLWAZQC-UHFFFAOYSA-N
分子式: C17H27F6N7OP2
平均分子量: 521.4 g/mol
単同位体質量: 521.16565148

名称と識別子

優先名称: ((7-Azabenzotriazol-1-YL)oxy)tris(pyrrolidino)phosphonium hexafluorophosphate
IUPAC: tripyrrolidin-1-yl(triazolo[4,5-b]pyridin-3-yloxy)phosphanium hexafluorophosphate
現地名: (7-アザベンゾトリアゾール-1-イルオキシ)トリピロリジノホスホニウムヘキサフルオロりん酸塩
英語名: (3-Hydroxy-3H-1,2,3-triazolo[4,5-b]pyridinato-O)tri-1-pyrrolidinylphosphonium hexafluorophosphate
分子式: C17H27F6N7OP2
分子量: 521.39

名称と別名

156311-83-0PyAOPPYAOP REAGENTC5Z532MU8E[(7-Azabenzotriazol-1-yl)oxy]tris(pyrrolidino)phosphonium hexafluorophosphatePhosphorus(1+), [3-(hydroxy-kappaO)-3H-1,2,3-triazolo[4,5-b]pyridinato]tri-1-pyrrolidinyl-, (T-4)-, hexafluorophosphate(1-) (1:1)Phosphorus(1+), (3-hydroxy-3H-1,2,3-triazolo(4,5-b)pyridinato-O)tri-1-pyrrolidinyl-, (T-4)-, hexafluorophosphate(1-)((7-Azabenzotriazol-1-yl)oxy)tris(pyrrolidino)phosphonium hexafluorophosphatePHOSPHONIUM, TRI-1-PYRROLIDINYL(3H-1,2,3-TRIAZOLO(4,5-B)PYRIDIN-3-YLOXY)-, HEXAFLUOROPHOSPHATE(1-)PHOSPHORUS(1+), (3-(HYDROXY-.KAPPA.O)-3H-1,2,3-TRIAZOLO(4,5-B)PYRIDINATO)TRI-1-PYRROLIDINYL-, (T-4)-, HEXAFLUOROPHOSPHATE(1-) (1:1)PHOSPHORUS(1+), (3-(HYDROXY-KAPPAO)-3H-1,2,3-TRIAZOLO(4,5-B)PYRIDINATO)TRI-1-PYRROLIDINYL-, (T-4)-, HEXAFLUOROPHOSPHATE(1-) (1:1)Phosphorus(1+), [3-(hydroxy-.kappa.O)-3H-1,2,3-triazolo[4,5-b]pyridinato]tri-1-pyrrolidinyl-, (T-4)-, hexafluorophosphate(1-) (1:1)

名称をさらに表示

(7-アザベンゾトリアゾール-1-イルオキシ)トリピロリジノホスホニウムヘキサフルオロりん酸塩(7-アザベンゾトリアゾール-1-イルオキシ)トリピロリジノホスホニウムヘキサフルオロホスファート[(3H-1,2,3-トリアゾロ[4,5-b]ピリジン-3-イル)オキシ]トリス(ピロリジノ)ホスホニウム(3H-1,2,3-トリアゾロ[4,5-b]ピリジン-3-イルオキシ)トリピロリジノホスホニウム[(3H-1,2,3-トリアゾロ[4,5-b]ピリジン-3-イル)オキシ]トリ(ピロリジノ)ホスホニウムトリス(ピロリジン-1-イル)({3H-[1,2,3]トリアゾロ[4,5-b]ピリジン-3-イルオキシ})ホスファニウム(7-アザ-1H-ベンゾトリアゾール-1-イルオキシ)トリピロリジノホスホニウム3H-1,2,3-トリアゾロ[4,5-b]ピリジン-3-イルオキシトリピロリジノホスホニウム(1,2,3,7-テトラアザ-1H-インデン-1-イルオキシ)トリピロリジノホスホニウム(7-アザ-1H-ベンゾトリアゾール-1-イルオキシ)トリス(ピロリジノ)ホスホニウム(7-Azabenzotriazol-1-yloxy)tripyrrolidinophosphonium hexafluorophosphate 96%PyAOP Novabiochem(7-Azabenzotriazol-1PVP-VACOPOLYMERSERIES(7-AZABENZOTRIAZOLE-1-YLOXY)TRIPYRROLIDI(7-Azabenzotriazol-1-yloxy)tripyrrolidinophospho(7-Azabenzotriazol-1-yloxy)tripyrrolidinophosphoni3H-1,2,3-triazolo[4,5-b]pyridine phosphonium derivative

RefChem:390332(7-Azabenzotriazol-1-yloxy)tripyrrolidinophosphonium hexafluorophosphate((3H-[1,2,3]Triazolo[4,5-b]pyridin-3-yl)oxy)tri(pyrrolidin-1-yl)phosphonium hexafluorophosphate(V)(3-Hydroxy-3H-1,2,3-triazolo[4,5-b]pyridinato-O)tri-1-pyrrolidinylphosphonium hexafluorophosphateMFCD03703417tripyrrolidin-1-yl(triazolo[4,5-b]pyridin-3-yloxy)phosphanium;hexafluorophosphate(7-azabenzotriazol-1-yloxy)tripyrrolidino-phosphonium hexafluorophosphatehexafluoro-lambda5-phosphanuide; tris(pyrrolidin-1-yl)({3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy})phosphanium

データベース識別子

CAS: 156311-83-0
PubChem CID: 11038641
DTXSID: DTXSID00935424
UNII: C5Z532MU8E
EC Number: 627-192-4

物性

構造計算による物性

極性表面積: 62.6 Å²
水素結合供与体数: 0
水素結合受容体数: 14
回転可能結合数: 5
重原子数: 33
形式電荷: 0
複雑度: 502

物理化学的性質

融点: 163 · 163-168 °C(lit.)
貯蔵温度: -20 °C · -20°C
溶解性: 1 % · Soluble in water or 1% acetic acid
外見: 粉末または結晶性粉末
色: ホワイトからオフホワイト
水溶解度: 水に溶ける。
主な用途: ペプチド合成
InChI: InChI=1S/C17H27N7OP.F6P/c1-2-11-21(10-1)26(22-12-3-4-13-22,23-14-5-6-15-23)25-24-17-16(19-20-24)8-7-9-18-17;1-7(2,3,4,5)6/h7-9H,1-6,10-15H2;/q+1;-1
InChIKey: CBZAHNDHLWAZQC-UHFFFAOYSA-N
SMILES: [P+5]([F-])([F-])([F-])([F-])([F-])[F-].[P+](N1CCCC1)(N1CCCC1)(N1CCCC1)ON1N=NC2C=CC=NC1=2
CAS データベース: 156311 · 156311-83-0(CAS DataBase Reference)
EPAの化学物質情報: 1 · Phosphorus(1+), [3-(hydroxy-.kappa.O)-3H-1,2,3-triazolo[4,5-b]pyridinato]tri-1-pyrrolidinyl-, (T-4)-, hexafluorophosphate(1-) (1:1) (156311-83-0)

化学的性質

化学的特性(3-Hydroxy-3H-1,2,3-triazolo[4,5-b]pyridinato-O)tri-1-pyrrolidinylphosphonium hexafluorophosphate is white to off-white crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 159 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

wgk: 3
hs_code: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

使用(3-Hydroxy-3H-1,2,3-triazolo[4,5-b]pyridinato-O)tri-1-pyrrolidinylphosphonium hexafluorophosphate is used as a coupling reagent in solid phase peptide synthesis. It is preferred over HATU, because it does not side react at the N-terminus of the peptide. Compared to the HOBt derivates, PyAOP (and HOAt in general) are more reactive due to the additional nitrogen.