49360
戊烯二酸
97% (T)
别名:
2-戊烯二酸
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线性分子式:
HOOCCH2CH=CHCOOH
化学文摘社编号:
分子量:
130.10
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
217-027-0
Beilstein/REAXYS Number:
1759560
MDL number:
Assay:
97% (T)
InChI
1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+
InChI key
XVOUMQNXTGKGMA-OWOJBTEDSA-N
SMILES string
OC(=O)C\C=C\C(O)=O
assay
97% (T)
functional group
carboxylic acid
Quality Level
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General description
戊烯二酸又称2-戊烯二酸，是一种不饱和二羧酸。它是碱木质素部分湿法氧化（PWO) 过程中的一种降解产物。对其晶体结构的分析表明该化合物主要以反式构象存在。戊烯二酸的几何键长和键角已采用 Hartree-Fock (HF)、密度泛函计算和 IR 光谱数据获得。
Application
戊烯二酸已用于通过与乙酰基-CoA反应制备CoA-底物戊二酰基-CoA。它可用于与五氯化磷（PCl5）反应制备6-氯-2（2H）-吡喃酮。
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
Alkaline Partial Wet Oxidation of Lignin for the Production of Carboxylic Acids.
Demesa AG, et al.
Chemical Engineering & Technology, 38(12), 2270-2278 (2015)
Crystal and molecular structure of glutaconic acid.
Thomas L and Srikrishnan T.
Journal of Chemical Crystallography, 33(9), 689-693 (2003)
Theoretical studies of molecular structure and vibrational spectra of glutaconic acid.
Atalay Y, et al.
Journal of Molecular Structure, 787(1), 90-95 (2006)
T M Lund et al.
Journal of neuroscience research, 77(1), 143-147 (2004-06-16)
Glutaric acidemia type 1 (GA1) is an autosomal recessively inherited deficiency of glutaryl-CoA dehydrogenase. Accumulating metabolites, 3-hydroxyglutaric (3-OH-GA), glutaric (GA), and trans-glutaconic (TG) acids, have been proposed to be involved in the development of the striatal degeneration seen in children
Bettina Gerstner et al.
Pediatric research, 57(6), 771-776 (2005-03-19)
Glutaryl-CoA dehydrogenase deficiency is an inherited metabolic disease characterized by elevated concentrations of glutaric acid (GA) and its metabolites glutaconic acid (GC) and 3-hydroxy-glutaric acid (3-OH-GA). Its hallmarks are striatal and cortical degeneration, which have been linked to excitotoxic neuronal
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