potassium 2-{[(3,5-di-tert-butyl-2-hydroxyphenyl)methylidene]amino}-2,2-diphenylacetate

• ChemBase编号: 140546
• 分子式: C29H32KNO3
• 平均质量: 481.66758
• 单一同位素质量: 481.20192557
• SMILES: CC(C)(C)c1cc(c(c(c1)C(C)(C)C)O)/C=N/C(c1ccccc1)(c1ccccc1)C(=O)O[K]
• Canonical SMILES: [K]OC(=O)C(c1ccccc1)(c1ccccc1)/N=C/c1cc(cc(c1O)C(C)(C)C)C(C)(C)C
• InChI: InChI=1S/C29H33NO3.K/c1-27(2,3)23-17-20(25(31)24(18-23)28(4,5)6)19-30-29(26(32)33,21-13-9-7-10-14-21)22-15-11-8-12-16-22;/h7-19,31H,1-6H3,(H,32,33);/q;+1/p-1
• InChIKey: ZPKNCDGWTMRAKF-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: potassium 2-{[(3,5-di-tert-butyl-2-hydroxyphenyl)methylidene]amino}-2,2-diphenylacetate
• IUPAC传统名: potassium 2-{[(3,5-di-tert-butyl-2-hydroxyphenyl)methylidene]amino}-2,2-diphenylacetate
• 别名: N-(3,5-二叔丁基亚水杨基)-2-氨基-2,2-二苯基乙酸钾; 2-(3,5-二叔丁基-2-羟基亚苄基氨基)-2,2-二苯基乙酸钾; SALDIPAC; Potassium N-(3,5-di-tert-butylsalicylidene)-2-amino-2,2-diphenylacetate; Potassium 2-(3,5-di-tert-butyl-2-hydroxybenzylideneamino)-2,2-diphenylacetate

登记号

• PubChem SID: 162234790; 24884856
• PubChem CID: 71310457

理论计算性质

• Acid pKa: 9.731456
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 8.590264
• LogD (pH = 7.4): 8.588285
• Log P: 8.5903
• 摩尔折射率: 133.2017 cm^3
• 极化性: 53.857 Å^3
• 极化表面积: 58.89 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 122.2-131.9 °C

产品相关信息

• 纯度: 95%
• Empirical Formula (Hill Notation): C29H32KNO3

详细说明

Sigma Aldrich - 676551

Application
Hydroazidation Catalyst for Facile Preparation of OrganoazidesSALDIPAC ligand used with Co(BF4)2 (cat. no. 399957) in a hydroazidation of unactivated olefins providing a simple synthesis of alkylazides.1 The azides, in turn, can be used in a copper-catalyzed cycloaddition with acetylenes providing 1,4-disubstitutedtriazoles.2
包装
1 g in glass bottle
250 mg in glass bottle