(1H-1,2,3-benzotriazol-1-yloxy)tris(pyrrolidin-1-yl)phosphanium; hexafluoro-λ5-phosphanuide

• ChemBase编号: 69349
• 分子式: C18H28F6N6OP2
• 平均质量: 520.3924612
• 单一同位素质量: 520.17040213
• SMILES: [P+](N1CCCC1)(N1CCCC1)(N1CCCC1)On1nnc2c1cccc2.[P-](F)(F)(F)(F)(F)F
• Canonical SMILES: C1CCN(C1)[P+](N1CCCC1)(N1CCCC1)On1nnc2c1cccc2.F[P-](F)(F)(F)(F)F
• 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: VIAFLMPQBHAMLI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (1H-1,2,3-benzotriazol-1-yloxy)tris(pyrrolidin-1-yl)phosphanium; hexafluoro-λ^5-phosphanuide; (1H-1,2,3-benzotriazol-1-yloxy)tris(pyrrolidin-1-yl)phosphanium; hexafluoro-$l^{5}-phosphanuide
• IUPAC传统名: PyBOP; hexafluoro-λ^5-phosphanuide; PyBOP hexafluorophosphate; (1,2,3-benzotriazol-1-yloxy)tris(pyrrolidin-1-yl)phosphanium; hexafluoro-$l^{5}-phosphanuide
• 别名: 1H-苯并三唑-1-基氧三吡咯烷基六氟磷酸盐; 1H-苯并三唑-1-氧基三(1-吡咯烷基)膦六氟磷酸盐; PyBOP; ((1H-Benzo[d][1,2,3]triazol-1-yl)oxy)tri(pyrrolidin-1-yl)phosphonium hexafluorophosphate(V); Benzotriazol-1-yl-oxytripyrrolidinphosphonium Hexafluorophosphate; PyBOP®; (Benzotriazol-1-yloxy)tripyrrolidinophosphonium hexafluorophosphate; PYBOP; 1H-Benzotriazol-1-yloxytripyrrolidinophosphonium hexafluorophosphate; 1H-Benzotriazol-1-yloxytri(1-pyrrolidinyl)phosphonium hexafluorophosphate

登记号

• CAS号: 128625-52-5
• EC号: 000-000-0
• MDL号: MFCD00077411
• Beilstein号: 3584612
• PubChem SID: 24863525; 162035075; 24847818
• PubChem CID: 2724699
• Chemspider ID: 2006820
• 维基百科标题: PyBOP

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 0.6112976
• LogD (pH = 7.4): 0.61129856
• Log P: 0.6112986
• 摩尔折射率: 114.746 cm^3
• 极化性: 42.034912 Å^3
• 极化表面积: 49.66 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Chloroform
• 外观: Off-White Solid; White crystals
• 熔点: ~150 °C; 150°C; 154-156 °C (dec.)(lit.); 154-156°C dec.; 155(dec.)°C; ca 155°C dec.

安全信息

• 保存注意事项: IRRITANT; Irritant; Moisture Sensitive
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38; R36/37/38
• 安全公开号: 26-36; 26-37; S26-S36
• TSCA收录: false; 否
• GHS危险品标识: GHS07
• GHS警示词: Warning
• 主要危害: Irritant
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥97.0% (TLC); 95+%; 98%
• 级别: purum
• 线性分子式: C18H28N6OP · PF6

详细说明

Apollo Scientific Ltd - PC1208

Peptide coupling reagent.

Sigma Aldrich - B3028

Application
BOP 偶联剂类似物，不产生致癌副产物 HMPA。1,2
法律信息
PyBOP 注册商标 Merck KGaA

Sigma Aldrich - 377848

Application
BOP 偶联剂类似物，不产生致癌副产物 HMPA。4,5
Reagent for: Synthesis of single labeled oligonucleotides that fluoresce upon matched hybridization1 Generation of endocrine disruptor chemical binders2 Cycloaddition to template-assembled multivalent peptide conjugates3
包装
1, 5 g in glass bottle
法律信息
PyBOP 注册商标 Merck KGaA

Sigma Aldrich - 12805

Application
BOP 偶联剂类似物，不产生致癌副产物 HMPA。1,2
法律信息
PyBOP 注册商标 Merck KGaA

参考文献

• Low racemization peptide coupling reagent (see Appendix 6), introduced by Castro, analogous to BOP Reagent (1H-Benzotriazol-1-yloxytris(dimethylamino)phosphonium hexafluorophosphate, A16140) but avoiding the formation of the carcinogenic HMPA as a by-product: Tetrahedron Lett., 31, 205 (1990). For use in formation of mixed phosphonate diesters, see: J. Org. Chem., 60, 5214 (1995).