CAS: 80370-42-9; Ethyl 2-Formyl-3-Oxopropanoate

该化合物是有机化合物,其特性为功能组,包括正丁,克酮和酯.该化合物一般是无色的,可粉黄液体或固态,视其纯度和具体条件而定.该化合物的分子结构允许各种化学反应,使其在有机合成中有用,特别是在制造更复杂的分子方面.该气态组的存在有助于其再活动,使其能够参与凝聚反应,而该气态组的功能可在酸性或基本条件下进行水解.此外,该化合物因其功能组,其挥发性可能随温度和压力而变化,在极地溶剂中表现出中度溶性.在处理时,应参考安全数据,因为若吸入或浸入,可能会对健康造成危害.

英文名称Ethyl 2-Formyl-3-Oxopropanoate
中文名称2-甲酰基-3-氧代丙酸乙酯
IUPAC名称ethyl 2-formyl-3-oxopropanoate
其它别名二甲酰基乙酸乙酯; Propanoic Acid, 2-Formyl-3-Oxo-, Ethyl Ester
CAS编号80370-42-9
MFCD编号:MFCD11112084
EINECS号:632-882-3
分子式:C6H8O4
分子量:144.13
产品CID: 1799024
产品分类有机原料→分子砌块→脂肪链类化合物

相似结构搜索
InChIKey: HMFLBGNCDZYITR-UHFFFAOYSA-N
InChI=1S/C6H8O4/c1-2-10-6(9)5(3-7)4-8/h3-5H,2H2,1H3…
计算化学: 氢键受体数4.0氢键供体数0.0可旋转键数4.0

相似化合物

6279-86-3 4704-94-3 99116-11-7

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别皮肤致敏类别1
皮肤腐蚀/刺激类别2
严重眼刺激类别2
急性毒性类别4(经口)
特定目标器官毒性 - 单次接触类别3
严重眼刺激类别2A
警示词Warning(警告)
危险描述H317 |可能引起皮肤过敏反应.
H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
H302 |吞咽有害.
H335 |可能引起呼吸道刺激.
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
危险品标志Xi

欧盟法规

ECHA物质C&L通报

上下游产品

合成工艺路线路线简述

合成目标产物 Propanoicacid,2-Formyl-3-Oxo-,Ethylester 主要起始原料 Ethyl 3,3-Diethoxypropionate And Ethyl Formate
109-94-4 + 10601-80-6 = 80370-42-9
反应条件:1.1 Reagents: Sodium Hydride Solvents: Diethyl Ether; -10 °C; 15 H,0 - 5 °C; 6 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 3
标题:Novel N-Linked Aminopiperidine-Based Gyrase Inhibitors With Improved Herg And In Vivo Efficacy Against Mycobacterium Tuberculosis
作者:Hameed P,Shahul; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:2014 卷标:57(11) 页码:4889-4905]

109-94-4 + 262293-82-3 = 80370-42-9
反应条件:1.1 Reagents: Sodium Hydride Solvents: Tetrahydrofuran; < 0 °C; 24 H,Rt1.2 Solvents: Water; Rt
标题:Design,Synthesis And Evaluation Of Aromatic Heterocyclic Derivatives As Potent Antifungal Agents
作者:Zhao,Shizhen; Et Al
参考文献:European Journal Of Medicinal Chemistry 日期:2017 卷标:137 页码:96-107]

623-47-2 = 80370-42-9 [标题:Reaction Conditions
标题:New Preparations Of Ethyl 3,3-Diethoxypropionate And Ethoxycarbonylmalondialdehyde. Copper(I) Catalyzed Acetal Formation From A Conjugated Triple Bond
作者:Bertz,Steven H.; Et Al
参考文献:Journal Of Organic Chemistry 日期:1982 卷标:47(11) 页码:2216-17]

109-94-4 + 7424-91-1 = 80370-42-9
反应条件:1.1 Reagents: Sodium Hydride Solvents: Diethyl Ether
标题:A Facile Synthesis Of Polyfunctionally Substituted Pyridines From (Ethoxycarbonyl)Malonaldehyde
作者:Torii,Sigeru; Et Al
参考文献:Synthesis 日期:1986 卷标:(5) 页码:400-2]

10601-80-6 = 80370-42-9
反应条件:1.1 Reagents: Sodium Hydride Solvents: Diethyl Ether; 2 H,Rt; 4 H,0 °C; 0 °C -> Rt; 24 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 3,Rt
标题:Bu3Snh-Mediated Radical Cyclization Onto Azoles
作者:Allin,Steven M.; Et Al
参考文献:Tetrahedron 日期:2008 卷标:64(33) 页码:7745-7758]

109-94-4 + 1001-26-9 = 80370-42-9 [标题:Reaction Conditions
标题:New Preparations Of Ethyl 3,3-Diethoxypropionate And Ethoxycarbonylmalondialdehyde. Copper(I) Catalyzed Acetal Formation From A Conjugated Triple Bond
作者:Bertz,Steven H.; Et Al
参考文献:Journal Of Organic Chemistry 日期:1982 卷标:47(11) 页码:2216-17

3,3-二乙氧基丙酸乙酯反应生成 2-甲酰基-3-氧代丙酸乙酯
参考文献:Isolation,Structure And Synthesis Of 4-Hydroxyisoxazole (Triumferol),A Seed Germination Inhibitor From An African Plant
标题:Isolation,Structure And Synthesis Of 4-Hydroxyisoxazole (Triumferol),A Seed Germination Inhibitor From An African Plant
摘要:
DOI:10.1016/s0040-4039(01)81929-8

海关参考信息

2905121000-正丙醇
2909110000-乙醚
2912110000-甲醛
2912120000-乙醛
💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
详情请参考：📖 海关编码查询和海关进出口税则

专利信息

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优先权日:2021-05-04
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发明人：HOUZE JONATHAN B; BOS MAXENCE; MANCUSO JOHN; FRANZONI IVAN; PANDYA BHAUMIK; KAPLAN ALAN
权利人:VIGIL NEUROSCIENCE INC
摘要:The present disclosure provides compounds of Formula I, useful for the activation of Triggering Receptor Expressed on Myeloid Cells 2 (â€œTREM2â€?). This disclosure also provides pharmaceutical compositions comprising the compounds, uses of the compounds, and compositions for treatment of, for example, a neurodegenerative disorder. Further, the disclosure provides intermediates useful in the synthesis of compounds of Formula I.

专利号:US-8859522-B2
优先权日:2011-04-27
标题:Processes for the preparation of regadenoson and a new crystalline form thereof
发明人：WOOLDRIDGE LUZVIMINDA T; MA CHUN; NADJI SOURENA
权利人:WOOLDRIDGE LUZVIMINDA T; MA CHUN; NADJI SOURENA; RELIABLE BIOPHARMACEUTICAL CORP
摘要:This disclosure relates to an improved process for the preparation of regadenoson, pharmaceutically acceptable salts thereof, and hydrates thereof, and for the preparation of intermediates useful in the synthesis of regadenoson. The disclosure also relates to a new crystalline form of regadenoson. Processes for the preparation of the crystalline form, compositions containing the crystalline form, and methods of use thereof are also described.

专利号:US-RE47301-E
优先权日:2006-02-03
标题 :Process for preparing an A2A-adenosine receptor agonist and its polymorphs
发明人：ZABLOCKI JEFF; ELZEIN ELFATIH; SEEMAYER ROBERT; LEMONS TRAVIS
权利人:GILEAD SCIENCES INC
摘要:Disclosed is a synthesis suitable for large scale manufacture of an A 2A -adenosine receptor agonist, and also relates to polymorphs of that compound, and to methods of isolating a specific polymorph.

专利号:US-2022324851-A1
优先权日:2017-10-18
标题:Amine-substituted heterocyclic compounds as ehmt2 inhibitors, salts thereof, and methods of synthesis thereof

专利号:WO-2019079540-A1
优先权日:2017-10-18
标题 :AMINO-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS INHIBITORS OF EHMT2, SALTS THEREOF, AND METHODS OF SYNTHESIS THEREOF

专利号:IL-301746-A
优先权日:2017-10-18
标题:Amine-substituted heterocyclic compounds as ehmt2 inhibitors, salts thereof, and methods of synthesis thereof