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丙醇二酸 | 80-69-3

丙醇二酸
Hydroxymalonic Acid
80-69-3
C3H4O5
120.060861587524
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:丙醇二酸结构式
45
丙醇二酸价格
简介
丙醇二酸(propanoldiacid, hydroxy-malonic acid)又名羟基丙二酸HYDROXYMALONIC ACID、亚酒石酸2-Hydroxypropanedioic acid、酒石裔酸Malonic acid.hydroxy-、羟丙二酸、Propanedioic acid.hydroxy,是一种化学物质,分子式C3H4O5。
名称和标识符
MDL MFCD00004237
InChIKey ROBFUDYVXSDBQM-UHFFFAOYSA-N
Inchi 1S/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8)
SMILES O=C(C(C(O)=O)O)O
别名信息
- 中文别名 -
  • 丙醇二酸
  • 羟基丙二酸
  • 亚酒石酸
  • 酒石裔酸
  • 羥丙二酸
  • 2-羟基丙二酸
- 英文别名 -
  • 2-hydroxypropanedioic acid
  • tartronic acid, 2-tartronic acid, hydroxymalonic acid, 2-hydroxymalonic acid, hydroxypropanedioic acid
  • Tartronic acid
  • 2-hydroxypropane-1,3-dioic acid
  • Hydroxymalonic acid,Hydroxypropanedioic acid
  • Hydroxypropanedioic acid
  • Malonic acid,hydroxy
  • Propanedioic acid,hydroxy
  • NSC 36171
  • alpha-Hydroxymalonic acid
  • Hydroxymalonic acid
  • 2-Hydroxymalonic acid
  • Propanedioic acid, hydroxy-
  • 2-Tartronic acid
  • 2-hydroxymalonate
  • MALONIC ACID, HYDROXY-
  • hydroxymalonate
  • Propanedioic acid, hydroxy- (9CI)
  • taTRonic acid
  • hydroxy-malonic acid
  • Tartronic acid, 8CI
  • HydroxymalonsA currencyure
  • .ALPHA.-HYDROXYMALONIC ACID
  • BDBM50038354
  • EINECS 201-301-1
  • C3H4O5
  • ROBFUDYVXSDBQM-UHFFFAOYSA-N
  • Tartronicacid
  • DTXSID6075358
  • 80-69-3
  • 2-Hydroxymalonicacid
  • UNII-34T0025E0L
  • AKOS001115605
  • SCHEMBL15060
  • CS-W013581
  • C02287
  • EN300-18772
  • H10518
  • Z90123595
  • AS-14777
  • CHEMBL1794676
  • J-524313
  • TARTRONIC ACID [MI]
  • NSC-36171
  • 2-Hydroxypropanedioic acid
  • F3F5D7E2-8FF8-4206-8F30-077B0F85979B
  • NS00038080
  • Triadimenol metabolite P06
  • AMY6179
  • 34T0025E0L
  • FT-0600419
  • hydroxymalonic'acid
  • MFCD00004237
  • Tartronic acid, >=97.0%
  • 4m6u
  • Q425473
  • NSC36171
  • CHEBI:16513
  • hydroxypropanedioic acid
  • 2-Hydroxypropanedioic acid (ACI)
  • Tartronic acid (6CI, 8CI)
  • α-Hydroxymalonic acid
物化性质
实验特性
LogP -1.48350
PSA 94.83000
Merck 14,9073
折射率 1.4000 (estimate)
水溶性 Soluble in water and alcohol.
沸点 471.4°C at 760 mmHg
熔点 158-160 °C (dec.) (lit.)
闪点 253°C
溶解度 极易溶解 (1000 g/L) (25 ºC),
颜色与性状 无色棱状结晶
溶解性 易溶于水、醇,无水物能溶于醚,含结晶水的难溶于醚
酸度系数(pKa) 2.42, 4.54(at 25℃)
密度 1.841±0.06 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量 120.00600
氢键供体数量 3
氢键受体数量 5
可旋转化学键数量 2
同位素质量 120.005873
重原子数量 8
复杂度 103
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) -1.1
表面电荷 0
拓扑分子极性表面积 94.8
国际标准相关数据
EINECS 36171
生产方法和用途
用途

一,用于有机合成   丙醇二酸可以和空气进行催化氧化形成丙酮二酸。

二,黄瓜中还含有一种叫“丙醇二酸”的物质,可以抑制体内糖类转变成脂肪,有减肥和调整脂质代谢的功效。

生产方法

以丙二酸二乙酯为原料,先在光照下加溴,减压蒸馏得到溴化丙二酯二乙酯。然后加氢氧化钾溶液,加热回流4h水解,用乙酸中和至pH为5。加氯化钡溶液,生成羟基丙二酸钡盐。酸化后减压蒸馏,用乙醚提取,最后用乙酸精制而得成品。

合成路线

合成路线:1 步

反应条件:
参考文献:
Tuning the Product Selectivity toward the High Yield of Glyceric Acid in Pt-CeO2/CNT Electrocatalyzed Oxidation of Glycerol
By Li, Jiefei et al, ChemCatChem, 2022, 14(16), e202200509

合成路线:1 步

反应条件:
参考文献:
Potential of catalytic oxidation of Kraft black liquor for the production of biosourced compounds
By Vilcocq, Lea et al, ChemRxiv, 2023, From ChemRxiv, 1-14

合成路线:1 步

反应条件:
参考文献:
New Insights into the Characterization of 'Insoluble Black HCN Polymers'
Ruiz-Bermejo, Marta; de la Fuente, Jose L.; Rogero, Celia; Menor-Salvan, Cesar; Osuna-Esteban, Susana; et al, Chemistry & Biodiversity, 2012, 9(1), 25-40

合成路线:1 步

反应条件:
参考文献:
Oxidative Catalytic Fractionation of Lignocellulose to High-Yield Aromatic Aldehyde Monomers and Pure Cellulose
By Zhu, Yuting et al, ACS Catalysis, 2023, 13(12), 7929-7941

合成路线:1 步

反应条件:
参考文献:
Preparation of hydroxymalonic acid by oxidation of glycerin or glyceric acid
, Japan, , ,

合成路线:1 步

反应条件:
参考文献:
Ozonization of malonic acid in aqueous solution
Dobinson, F., Chemistry & Industry (London, 1959, 853, 853-4

合成路线:2 步

反应条件:
参考文献:
Investigating Catalytic Properties Which Influence Dehydration and Oxidative Dehydrogenation in Aerobic Glycerol Oxidation over Pt/TiO2
By Tigwell, Max et al, Journal of Physical Chemistry C, 2022, 126(37), 15651-15661

合成路线:1 步

参考文献:
Dihydroxytartaric acid
Lachman, Arthur, Journal of the American Chemical Society, 1921, 43, 2091-7

合成路线:1 步

反应条件:
参考文献:
Reductive Coupling of Aldehydes by H2S in Aqueous Solutions, a C-C Bond Forming Reaction of Prebiotic Interest
Kajjout, Mohammed; et al, Chemistry & Biodiversity, 2012, 9(4), 714-726

合成路线:1 步

反应条件:
参考文献:
Catalytic preparation of tartronic acid from glycerin or glyceric acid
, Japan, , ,

合成路线:1 步

反应条件:
参考文献:
Chemistry of diazo dicarbonyl compounds. 5. Photolysis of 5-diazo-2,2-dimethyl-4,6-dioxo-1,3-dioxane (diazoisopropylidenemalonic acid)
Nikolaev, V. A.; et al, Khimiya Geterotsiklicheskikh Soedinenii, 1985, (3), 321-5

合成路线:1 步

反应条件:
参考文献:
Airborne Preparation of Small Gold Nanoparticles Dispersed on Mesoporous Silica for the Catalytic Oxidation of Glycerol to Dihydroxyacetone
By Van der Verren, Margot et al, ACS Applied Nano Materials, 2022, 5(12), 18977-18985

合成路线:1 步

反应条件:
参考文献:
CrOx decoration on Fe/TiO2 with tunable and stable oxygen vacancies for selective oxidation of glycerol to lactic acid
By Chu, Dawang et al, New Journal of Chemistry, 2022, 46(39), 18744-18750

合成路线:1 步

反应条件:
参考文献:
PtBi on carbon cloth as efficient flexible electrode for electro-oxidation of liquid fuels
By Ning, Xiaomei et al, Journal of Electroanalytical Chemistry, 2022, 904, 115958

合成路线:1 步

反应条件:
参考文献:
Intermetallic PdZn nanoparticles loaded on deficient TiO2 nanosheets as a support: a bifunctional electrocatalyst for oxygen reduction in PEMFCs and the glycerol oxidation reactions
By Naik, Keerti M. et al, Journal of Materials Chemistry A: Materials for Energy and Sustainability, 2022, 10(26), 13987-13997

合成路线:1 步

反应条件:
参考文献:
Glycerol oxidation by molecular oxygen in the presence of a commercial 3% Pd/Al2O3 catalyst in bubble column reactors
Muravjova, Olga; et al, Rigas Tehniskas Universitates Zinatniskie Raksti, 2009, 20, 33-42
相关文献
专业数据库参考
PubChemId 45
参考资料
Beilstein 1209791
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