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名称

异哌啶酸乙酯

分子类型

小分子

别名

4-哌啶甲酸乙酯

英文别名

英文名称

Ethyl isonipecotate

货号

E123578-10g

包装规格

10g

浓度

≥98%

储存温度

充氩

运输条件

常规运输

敏感性

对空气敏感

产品介绍

Reactant for synthesis of SMN protein modulators and β-aryl and β-amino-substituted aliphatic esters by rhodium catalyzed tandem double bond migration/conjμgate addition. Reactant for synthesis of: 1.SMN protein modulators. 2.β-aryl and β-amino-substituted aliphatic esters by rhodium catalyzed tandem double bond migration/conjugate addition. 3.Nitroethylenediamines by nucleophilic ring opening of nitroimidazolidinone. 4.RhoA inhibitors for cardiovascular disease therapy. 5.Saccharin derived Mannich bases as antimicrobials and antioxidants. 6.Reactant for one-pot reductive amination and Suzuki-Miyaura cross coupling of formyl aryl and heteroaryl MIDA boronates.

CAS号

1126-09-6

分子式

C8H15NO2

分子量

157.21 g/mol

Beilstein号

118419

EC号

214-416-7

MDL号

MFCD00006003

PubChem编号

70770

Isomeric SMILES

CCOC(=O)C1CCNCC1

IIUPAC Name

ethyl piperidine-4-carboxylate

INCHI

1S/C8H15NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h7,9H,2-6H2,1H3

InChi Key

RUJPPJYDHHAEEK-UHFFFAOYSA-N

Smiles

CCOC(=O)C1CCNCC1

PubChem SID

504754569

溶解性

Fully miscible with water.

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

157.11 Da

单同位素质量Monoisotopic Mass

157.11 Da

拓扑极表面积Topological Polar Surface Area

38.300 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

130.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

0.500

密度

1.021

折光率

1.46

闪点(℃)

80°(176°F)

沸点

203-205°C

Reaxy-Rn

118419

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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