CAS 70384-51-9|三(3,6-二氧杂庚基)胺|三[2-(2-甲氧基乙氧基)乙基]胺|Tris(3,6-dioxaheptyl)amine|8-[2-(2-methoxyethoxy)ethyl]-2,5,11,14-tetraoxa-8-azapentadecane|TDA-1|8-[2-(2-methoxyethoxy)ethyl]-2,5,11...

基本信息

化学结构

分子式

C₁₅H₃₃NO₆

分子量

323.42562

精确质量

323.23078778

电荷

InChI

InChI=1S/C15H33NO6/c1-17-10-13-20-7-4-16(5-8-21-14-11-18-2)6-9-22-15-12-19-3/h4-15H2,1-3H3

InChIKey

XGLVDUUYFKXKPL-UHFFFAOYSA-N

Canonic Smiles

COCCOCCN(CCOCCOC)CCOCCOC

Isomeric Smiles

N(CCOCCOC)(CCOCCOC)CCOCCOC

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

-2.751921

LogD (pH = 7.4)

-0.9779692

Log P

-0.09168358

摩尔折射率

86.2491

极化性

34.08694

极化表面积

58.62

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

别名

三(3,6-二氧杂庚基)胺三[2-(2-甲氧基乙氧基)乙基]胺Tris(3,6-dioxaheptyl)amineTDA-1Tris[2-(2-methoxyethoxy)ethyl]amine三(3,6-二氧庚基)胺Tris(3,6-dioxaheptyl)amineTris[2-(2-methoxyethoxy)ethyl]amineTris(3,6-dioxaheptyl)amineTris(2-(2-methoxyethoxy)ethyl)amine

IUPAC标准名

8-[2-(2-methoxyethoxy)ethyl]-2,5,11,14-tetraoxa-8-azapentadecane

IUPAC传统名

8-[2-(2-methoxyethoxy)ethyl]-2,5,11,14-tetraoxa-8-azapentadecane

名称和标识

数据登录号

MDL号

MFCD00010748

CAS号

70384-51-9

PubChem SID

1620765252488986224858174

PubChem CID

112414

EC号

274-590-5

Beilstein号

2369296

数据登录号

化合物性质

分子相关蛋白质

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分子图谱

暂无数据

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描述信息

Sigma Aldrich

301248

包装
5, 100, 500 g in glass bottle

93373

Other Notes
该三足配体表现出良好的钠、钾、铷络合特性（log K：Na 2.2；K 2.2；Rb 2.0）1；可用于许多反应的 PTC2,3,4；制备用于烃类溶剂的固体格氏试剂5

描述信息

参考文献

PubChem文献

数据源提供

• Acyclic solid-liquid phase-transfer catalyst (see Appendix 2).

• Accelerates dehydrobromination of alkyl halides in the presence of KOH: Org. Synth. Coll., 9, 539 (1998). For use in the Wittig reaction, see Cyclopropyltriphenylphosphonium bromide, B25102.

• Has been used in a number of aromatic nucleophilic substitution reactions:

• In studies of solvent-free S_NAr reactions, TDA-1 was found to be the best catalyst: Synth. Commun., 20, 2855 (1990); Heterocycles, 32, 1947 (1991). In combination with CuCl, is also a useful catalyst in the Ullmann aryl ether synthesis: J. Org. Chem., 50, 3717 (1985). An improved N-arylation of amides utilizes a catalyst combination of CuCl and TDA-1 (5:1): Synthesis, 312 (1989).

• Solubilizes salts of alkali metals and of transition metals, e.g. PdCl₂, RuCl₃ and RhCl₃, allowing these to be used in hydrogenation reactions: Synth. Commun., 19, 2833 (1989).

• Forms isolable 2:1 complexes with Grignard reagents: Tetrahedron, 45, 171 (1989).

• For use in a stereospecific glycosylation reaction of a pyrimidine base, see: Helv. Chim. Acta, 71, 1573 (1988).

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

别名

IUPAC标准名

8-[2-(2-methoxyethoxy)ethyl]-2,5,11,14-tetraoxa-8-azapentadecane

IUPAC传统名

8-[2-(2-methoxyethoxy)ethyl]-2,5,11,14-tetraoxa-8-azapentadecane

数据登录号

MDL号

MFCD00010748

CAS号

70384-51-9

PubChem SID

1620765252488986224858174

PubChem CID

EC号

Beilstein号

描述信息

301248

包装
5, 100, 500 g in glass bottle

93373

Other Notes
该三足配体表现出良好的钠、钾、铷络合特性（log K：Na 2.2；K 2.2；Rb 2.0）1；可用于许多反应的 PTC2,3,4；制备用于烃类溶剂的固体格氏试剂5

参考文献

PubChem文献

数据源提供

• Acyclic solid-liquid phase-transfer catalyst (see Appendix 2).

• Has been used in a number of aromatic nucleophilic substitution reactions:

• Solubilizes salts of alkali metals and of transition metals, e.g. PdCl₂, RuCl₃ and RhCl₃, allowing these to be used in hydrogenation reactions: Synth. Commun., 19, 2833 (1989).

• Forms isolable 2:1 complexes with Grignard reagents: Tetrahedron, 45, 171 (1989).

• For use in a stereospecific glycosylation reaction of a pyrimidine base, see: Helv. Chim. Acta, 71, 1573 (1988).

生物活性

PubChem BioAssay

化合物性质

化合物信息

ID:89662