2-氧代戊二酸二甲酯

1篇引用文献

≥95%(GC)

CAS编号: 13192-04-6
分子式: C₇H₁₀O₅
分子量: 174.15
MDL号: MFCD00048052
PubChem编号: 25775
PubChem SID: 488182979

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货号 (SKU)	包装规格	是否现货
D163011-1g	1g	现货
D163011-5g	5g	现货
D163011-25g	25g	现货

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羧酸 (2084) 羰基化合物 (2345)

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基本描述

别名	α-酮戊二酸二甲酯
英文别名	dimethyl 2-oxidanylidenepentanedioate \| EN300-1661000 \| K0013 \| Pentanedioic acid, 2-oxo-, dimethyl ester \| SCHEMBL9543 \| BCP24128 \| Glutaric acid, 2-oxo-, dimethyl ester \| Dimethyl 2-oxoglutarate, 96% \| CS-0103277 \| FT-0612735 \| Dimethyl 2-oxopentanedioa
规格或纯度	≥95%(GC)
英文名称	Dimethyl 2-oxoglutarate
应用	Dimethyl 2-oxoglutarate may be used to synthesize the conformationally constrained PNA (peptide nucleic acid) -monomer capable of binding thymine in a triplex motif. It may be used in the synthesis of 4-aryl kainic acid analogs, via highly stereoselective Michael addition reaction with nitrostyrene.
运输条件	常规运输
产品介绍	Dimethyl 2-oxoglutarate is a key intermediate formed during the Krebs cycle and an important nitrogen transporter in the biological metabolic pathways. The electrochemical behavior of dimethyl-2-oxoglutarate has been investigated by cyclic voltammetry, square wave voltammetry and differential pulse voltammetry using a glassy carbon electrode.Dimethyl 2-oxoglutarate may be used to synthesize the conformationally constrained PNA (peptide nucleic acid) -monomer capable of binding thymine in a triplex motif. It may be used in the synthesis of 4-aryl kainic acid analogs, via highly stereoselective Michael addition reaction with nitrostyrene. Dimethyl 2-oxoglutarate is a key intermediate formed during the Krebs cycle and an important nitrogen transporter in the biological metabolic pathways. The electrochemical behavior of dimethyl-2-oxoglutarate has been investigated by cyclic voltammetry, square wave voltammetry and differential pulse voltammetry using a glassy carbon electrode. Dimethyl 2-oxoglutarate may be used to synthesize the conformationally constrained PNA (peptide nucleic acid) -monomer capable of binding thymine in a triplex motif. It may be used in the synthesis of 4-aryl kainic acid analogs, via highly stereoselective Michael addition reaction with nitrostyrene.

作用机制

作用机制	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	参考文献

名称和识别符

PubChem SID	488182979
分子类型	未知
IUPAC Name	dimethyl 2-oxopentanedioate
INCHI	InChI=1S/C7H10O5/c1-11-6(9)4-3-5(8)7(10)12-2/h3-4H2,1-2H3
InChi Key	TXIXSLPEABAEHP-UHFFFAOYSA-N
Canonical SMILES	COC(=O)CCC(=O)C(=O)OC
Isomeric SMILES	COC(=O)CCC(=O)C(=O)OC
WGK Germany	3
分子量	174.15
Reaxy-Rn	1781665
Reaxys-RN link address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1781665&ln=

化学和物理性质

密度	1.203
敏感性	对空气敏感
折光率	1.439
闪点(℉)	>235.4 °F
闪点(℃)	>113 °C
沸点	90-95 °C
熔点	117°C/3mmHg
分子量	174.150 g/mol
XLogP3	-0.200
氢键供体数Hydrogen Bond Donor Count	0
氢键受体数Hydrogen Bond Acceptor Count	5
可旋转键计数Rotatable Bond Count	6
精确质量Exact Mass	174.053 Da
单同位素质量Monoisotopic Mass	174.053 Da
拓扑极表面积Topological Polar Surface Area	69.700 Å²
重原子数Heavy Atom Count	12
形式电荷Formal Charge	0
复杂度Complexity	196.000
同位素原子数Isotope Atom Count	0
定义的原子立体中心计数Defined Atom Stereocenter Count	0
未定义的原子立体中心计数Undefined Atom Stereocenter Count	0
定义的键立体中心计数Defined Bond Stereocenter Count	0
未定义的键立体中心计数Undefined Bond Stereocenter Count	0
所有立体化学键的总数The total count of all stereochemical bonds	0
共价键合单元计数Covalently-Bonded Unit Count	1

安全和危险性（GHS）

WGK Germany	3
Reaxy-Rn	1781665
Reaxys-RN link address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1781665&ln=
个人防护装备	Eyeshields， Gloves

SDS英文版

质量标准

Purity(GC)	95-100（%）
Density (20°C)	1.207-1.217
Refractive index n20/D	1.438-1.442
Appearance（D163011)	Colorless to light yellow liquid
Proton NMR spectrum	Conforms to Structure

质量标准

质检证书（CoA,COO,BSE/TSE 和分析图谱)

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找到14个结果

批号(Lot Number)	证书类型	日期	货号
K2310382	分析证书	23-11-20	D163011
K2310383	分析证书	23-11-20	D163011
K2310386	分析证书	23-11-20	D163011
H2330293	分析证书	23-10-26	D163011
H2330294	分析证书	23-10-26	D163011
H2330295	分析证书	23-10-26	D163011
B2309365	分析证书	23-02-14	D163011
B2309386	分析证书	23-02-14	D163011
B2309388	分析证书	23-02-14	D163011
B2309397	分析证书	23-02-14	D163011
B2309413	分析证书	23-02-14	D163011
B2309815	分析证书	23-02-14	D163011
F2224165	分析证书	22-07-03	D163011
F2222459	分析证书	22-06-27	D163011

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溶液计算器

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稀释计算器

计算配制储备溶液所需的稀释度。

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复溶计算器

复溶计算器允许您快速计算试剂的体积，以复溶小瓶。只需输入试剂的质量和目标浓度，计算器将确定其余部分。

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所需的复溶浓度