1H-苯并三唑-1-基氧三吡咯烷基六氟磷酸盐 (HCID 2724699)

名称与标识

首选名称: PyBOP
IUPAC: benzotriazol-1-yloxy(tripyrrolidin-1-yl)phosphanium hexafluorophosphate
中文名: 1H-苯并三唑-1-基氧三吡咯烷基六氟磷酸盐
英文名: PyBOP
分子式: C18H28F6N6OP2
分子量: 520.39

名称与别名

PyBOP128625-52-5DTXSID40369209RefChem:177361DTXCID50320245(Benzotriazol-1-yloxy)tripyrrolidinophosphonium hexafluorophosphate((1H-Benzo[d][1,2,3]triazol-1-yl)oxy)tri(pyrrolidin-1-yl)phosphonium hexafluorophosphate(V)MFCD00077411Benzotriazole-1-yl-oxytripyrrolidinophosphonium hexafluorophosphatebopp1H-Benzotriazol-1-yloxytripyrrolidinophosphonium HexafluorophosphateBenzotriazol-1-yl-oxytripyrrolidinophosphonium hexafluorophosphate

展开更多名称

六氟磷酸苯三唑-1-基-氧基三六氟磷酸苯三唑-1-基-氧基三吡咯烷基六氟磷酸苯并三唑-1-基-三吡咯烷基膦苯并三唑-1-基氧三吡咯烷基鏻六氟磷酸六氟磷酸苯并三唑-1-基-氧基三吡咯烷六氟磷酸苯并三唑-1-基-氧基三吡咯烷基"六氟磷酸苯并三唑-1-基-氧基三吡咯烷1H-苯并三唑-1-氧三吡咯啉嗡六氟磷酸六氟磷酸苯并三唑-1-氧基三(吡咯烷并)磷苯并三唑-1-基-氧基三吡咯烷基鏻六氟磷酸N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphateBOP REAGENTBYPOPBENZOTRIAZOLE-1-YL-OXY-TRIS-PYRROLIDINO-PHOSPHONIUM HEXAFLUOROPHOSPHATEBENZOTRIAZOL-1-YLOXYTRIS(PYRROLIDINO)PHOSPHONIUM HEXAFLUOROPHOSPHATE

benzotriazol-1-yl-oxytripyrrolidinphosphonium hexafluorophosphate1-Benzotriazolyloxytripyrrolidinylphosphonium hexafluorophosphateBenzotriazol-1-yloxytripyrrolidinophosphonium hexafluorophosphate(Benzotriazol-1-yloxy)tripyrrolidinophosphonium (hexafluorophosphate)benzotriazol-1-yloxy(tripyrrolidin-1-yl)phosphanium;hexafluorophosphate132701-58-7Benzotriazole-1-yl-Y6KQR4GY6T

数据库标识

CAS: 128625-52-5
PubChem CID: 2724699
DTXSID: DTXSID40369209
UNII: Y6KQR4GY6T
EC Number: 603-290-2

性质

结构计算性质

极性表面积: 49.7 Å²
氢键供体: 0
氢键受体: 13
可旋转键: 5
重原子: 33
形式电荷: 0
复杂度: 500

物理化学性质

熔点: 154 · 154-156 °C (dec.)(lit.)
密度: 1.438 at · 1.438 at 20℃
蒸气压: 0 · 0-0Pa at 20-50℃
储存条件: 2 · 2-8°C
溶解度: 25 mg/mL, · methanol: 25 mg/mL, clear
形态: Fine Crystalline Powder
颜色: White to off-white
敏感性: Moisture Sensitive
BRN: 3584612 · 3584612
主要应用: peptide synthesis
InChI: InChI=1S/C18H28N6OP.F6P/c1-2-10-18-17(9-1)19-20-24(18)25-26(21-11-3-4-12-21,22-13-5-6-14-22)23-15-7-8-16-23;1-7(2,3,4,5)6/h1-2,9-10H,3-8,11-16H2;/q+1;-1
InChIKey: BYCLGHOAELJLOF-UHFFFAOYSA-M
SMILES: [P+](ON1N=NC2C=CC=CC1=2)(N1CCCC1)(N1CCCC1)N1CCCC1.[P-](F)(F)(F)(F)(F)F
LogP: -0.3 at · -0.3 at 26℃ and pH3.5-3.7
CAS 数据库: 128625 · 128625-52-5(CAS DataBase Reference)

化学性质

1H-苯并三唑-1-基氧三吡咯烷基六氟磷酸盐(PyBOP)是BOP偶联试剂的类似物。其通常作为合成酰胺以及其他酯化反应的催化剂。PyBOP具有选择性的醇和烯烃的氧化，而且具有将胺氧化成酰胺的潜力，但由于当时绿色化学还没有受到太多关注，因此它还没有被更早地研究过。随着目前对可持续性和绿色化学的关注，科学家们已经开始使用PyBOP以更绿色的方式合成酰胺。

安全与法规

GHS分类

GHS Classification · 5 条

Warning

H302 (14.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (87.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (12.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (87.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (86.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H410 (12.2%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 74 reports by companies from 13 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.

危害信息

Regulatory InformationStatus: Active Update: 24-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/30080；Status: Active Update: 07-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27481

Hazard Classes and CategoriesAcute Tox. 4 (14.9%)；Skin Irrit. 2 (87.8%)；Skin Sens. 1 (12.2%)；Eye Irrit. 2 (87.8%)；STOT SE 3 (86.5%)；Aquatic Chronic 1 (12.2%)

法规信息

Regulatory InformationStatus: Active Update: 24-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/30080；Status: Active Update: 07-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27481

安全数据

F: 8-10-21
wgk: 3
hazard_note: Irritant
存储类别: 11 - Combustible Solids
安全说明: 26-36-24/25-37/39
海关编码: 29339980
危险品标志: Xi
危险性类别: Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Skin Sens. 1
危险类别码: 37/38-44-36/37/38
危险品运输编号: UN 1325 4.1/PG 2

化学与工业

应用领域 · 3 条

用途功能材料、特种电解质、催化剂

用途用于肽的偶联剂

用途BOP偶联试剂类似物，不产生具有致癌物(质)的HMPA副产物

试剂价格

B1774 · 5G: 1H-苯并三唑-1-基氧三吡咯烷基六氟磷酸盐[用于肽的偶联剂]1H-Benzotriazol-1-yloxytripyrrolidinophosphonium Hexafluorophosphate [Coupling Reagent for Peptide] — 100元
B1774 · 25G: 1H-苯并三唑-1-基氧三吡咯烷基六氟磷酸盐[用于肽的偶联剂]1H-Benzotriazol-1-yloxytripyrrolidinophosphonium Hexafluorophosphate [Coupling Reagent for Peptide] — 290元