tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane-2,4,6-trione

• ChemBase编号: 151814
• 分子式: C9H21O6P3
• 平均质量: 318.180723
• 单一同位素质量: 318.05509828
• SMILES: CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC
• Canonical SMILES: CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
• InChI: InChI=1S/C9H21O6P3/c1-4-7-16(10)13-17(11,8-5-2)15-18(12,14-16)9-6-3/h4-9H2,1-3H3
• InChIKey: PAQZWJGSJMLPMG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tripropyl-1,3,5,2λ^5,4λ^5,6λ^5-trioxatriphosphinane-2,4,6-trione
• IUPAC传统名: tripropyl-1,3,5,2λ^5,4λ^5,6λ^5-trioxatriphosphinane-2,4,6-trione
• 别名: 1-丙基磷酸环酐; 1-丙基磷酸环酐 溶液; 丙基磷酸三环酸酐 溶液; 1-丙基磷酸酐 溶液; 1-Propanephosphonic acid cyclic anhydride; T3P; 1-Propylphosphonic acid cyclic anhydride; 2,4,6-Tripropyl-1,3,5,2,4,6-trioxatriphosphinane 2,4,6-trioxide; PPACA; T3P®; 1-Propanephosphonic anhydride solution; 2,4,6-Tripropyl-1,3,5,2,4,6-trioxatriphosphorinane-2,4,6-trioxide solution; Propylphosphonic anhydride solution

登记号

• CAS号: 68957-94-8
• EC号: 422-210-5
• MDL号: MFCD00006583
• Beilstein号: 5079255
• PubChem SID: 24867005; 24887900; 162245960
• PubChem CID: 111923

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.910051
• LogD (pH = 7.4): 1.910051
• Log P: 1.910051
• 摩尔折射率: 68.3862 cm^3
• 极化性: 28.764729 Å^3
• 极化表面积: 78.9 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 153°C; 65 °C; 77°C
• 闪点: 143.6 °F; 24.8 °F; -3°C(26°F); -4 °C; 62 °C; 62°C(143°F)
• 密度: 1.069 g/mL at 25 °C; 1.080; 1.090
• 折射率: 1.4190; 1.4505; n20/D 1.418

安全信息

• 保存注意事项: Moisture Sensitive
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 易燃性(Flammable) (F); 有毒(Toxic) (T)
• 联合国危险货物编号: 2924; UN2924; UN3265
• 德国WGK号: 1
• 联合国危险货物等级: 3; 8
• 联合国危险货物包装类别(PG): 3; II
• 危险公开号: 11-34-67; 61-20/21-34
• 安全公开号: 16-23-26-36/37/39-45; 16-26-36/37/39-45; 53-26-36/37/39-45; 53-45
• TSCA收录: 否
• GHS危险品标识: GHS02; GHS05; GHS06; GHS07; GHS08
• GHS警示词: Danger
• GHS危险声明: H225-H314-H336; H311-H332-H360-H314-H318-H227; H314-H360D
• GHS警示性声明: P201-P280-P305 + P351 + P338-P310; P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P261-P280-P305 + P351 + P338-P310; P210-P303+P361+P353-P305+P351+P338-P361-P405-P501A
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US); Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2924 3/PG 3

产品相关信息

• 纯度: 50+% soln. in DMF; 50+% soln. in ethyl acetate; 95+%
• 浓度: ~50% in DMF; ~50% in ethyl acetate; ≥50 wt. % in ethyl acetate
• 级别: technical
• Empirical Formula (Hill Notation): C9H21O6P3

详细说明

Sigma Aldrich - 81801

Other Notes
偶联剂，用于肽合成1,2；制备其他酰胺3；合成酯（缩酚酸肽）4
包装
25, 100 mL in glass bottle
法律信息
T3P is a registered trademark of Archimica GmbH

Sigma Aldrich - 431303

Application
用于羧基的活化，以进行羟基酰胺化和肽偶联。用于肽合成以及将羧酸经一锅法转化为氧肟酸。1,2
包装
10, 50, 100, 500 mL in glass bottle
法律信息
T3P is a registered trademark of Archimica GmbH

Sigma Aldrich - 81799

法律信息
T3P is a registered trademark of Archimica GmbH

参考文献

• Condensation agent in formation of amide and ester linkages. In peptide synthesis, gives high yields, low racemization, and minimization of side reactions without the need for additives, as well as easily removable (water soluble) by-products: Angew. Chem. Int. Ed., 19, 133 (1980). Also reported for formation of a Weinreb amide in high yield from the acid and N,O-dimethylhydroxylamine: Angew. Chem. Int. Ed., 36, 1191 (1997). Activating agent for epoxidation of alkenes, giving cis-stereoselectivity in reactions with allylic alcohols: Tetrahedron Lett., 35, 8125 (1994). For a brief reviews of the reagent, see: Synlett, 1369 (2000); 1328 (2007). For peptide reagents, see Appendix 6.
• T3P is a registered trademark of Clariant Group.
• T3P is a registered trademark of Archimica.
• For use in the synthesis of N-acyloxythiazole-2(3H)-thiones, see: Synlett, 371 (2000).