1.1
-
2.1
Reagents:
Phosphorus oxychloride
3.1
-
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Fumaric acid | 110-17-8
Fumaric acid(fumaric acid)Also known as fumarate,Violic acid or lichenic acid,Fumaric acid(IUPACbe known as(E)-Maleic acid),It is colorless\Flammable crystals,Carboxylic acids derived from butene.Burning fumarate will release irritating Maleic anhydride Fumigation.It tastes like fruit,And in the genus Corydalis\Boletus spp\Found in lichens and Icelandic seaweed.
- Fumaric acid
- 2-BUTENEDIOIC ACID
- ACIDUM FUMARICUM
- (e)-1,2-ethenedicarboxylic acid
- (E)-2-Butenedioic acid
- FEMA 2488
- LICHENIC ACID
- RARECHEM AL BO 0142
- TRANS-1,2-ETHYLENEDICARBOXYLIC ACID
- TRANS-1,2-ETHYLENTRICARBOXYLIC ACID
- TRANS-2-BUTEN-1,4-DIOIC ACID
- TRANS-2-BUTENEDIOIC ACID
- TRANS-BUTENEDICARBOXYLIC ACID
- TRANS-BUTENEDIOIC ACID
- (2E)-2-Butenedioic acid
- (e)-2-butenedioicaci
- (e)-butenedioicaci
- 1,2-Ethenedicarboxylic acid, trans-
- FUMARIC ACID(RG)
- Boletic acid
- but-2-en-1,4-dioic acid
- fumaric
- FUMARSAEURE
- Fumarsure
- TMEDA
- U-1149
- Butenedioic acid
- NSC-2752
- [ "" ]
- FA
- boleticacid
- Allomaleic acid
- (2E)-but-2-enedioic acid
- Tumaric acid
- Allomalenic acid
- 2-Butenedioic acid (E)-
- Kyselina fumarova
- Butenedioic acid, (E)-
- Lichenic acid (VAN)
- 2-Butenedioic acid, (E)-
- Fumaricum acidum
- 2-Butenedioic acid (2E)-
- Caswell No. 465E
- FEMA Number 2488
- But-2-enedioi
- fumarate
- But-2-enedioic acid
- FEMA No. 2488
- FEMA
- trans-2-Butenedioic Acid
- (E)-1,2-Ethenedicarboxylic acid
- Fumaric Acid
- MLS002454406
- (2E)-but-2-enedioate
- cis-2-Butenedioic acid
- trans-but-2-enedioic acid
- trans-1,2-ethylenedicarboxylic acid
- E297
- cis-but-2-enedioic acid
- trans-2-Butenedioic acid
- sodium maleate
- Maleic acid, disodium salt
- Maleic acid
- MALEIC ACID
- MLSMR
- Fumarsaeure
- (E)-2-butenedioic acid
- cis-1,2-ethylenedicarboxylic acid
- FUMARATE
- Lichenic acid
- trans-Butenedioic acid
- fumaric acid
- Maleate
- FUMARIC ACID
- (E)-2-butenedioic acid, ion(2-)
- cis-Butenedioic acid
- H2male
- disodium maleate
- MLS002153468
- (2E)-2-butenedioic acid
- maleic acid
- (Z)-butenedioic acid
- (Z)-2-butenedioic acid
- Fumarate
- SMR000112117
- toxilic acid
- SMR001230824
- MDL：MFCD00002700
- InChIKey：VZCYOOQTPOCHFL-OWOJBTEDSA-N
- Inchi：1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
- SMILES：O([H])C(/C(/[H])=C(\[H])/C(=O)O[H])=O
- BRN：605763
Propriedades Computadas
- Massa Exacta: 116.01100
- Contagem de dadores de ligações de hidrogénio: 2
- Contagem de aceitadores de ligações de hidrogénio: 4
- Contagem de Ligações Rotativas: 2
- Massa monoisotópica: 116.011
- Contagem de Átomos Pesados: 8
- Complexidade: 119
- Contagem de átomos isótopos: 0
- Contagem de Estereocentros Átomos Definidos: 0
- Contagem de Estereocentros Átomos Indefinidos: 0
- Contagem de Stereocenters de Obrigações Definidas: 1
- Contagem de Stereocenters Indefined Bond: 0
- Contagem de Unidades Ligadas Covalentemente: 1
- Contagem Funcional de Aceitadores 3D: 4
- Contagem de Aniões 3D Funcionais: 2
- Contagem de Ligações Rotativas: 2
- RMSD isomérica: 0.4
- Número de isómeros conformacionais CID: 5
- XLogP3: -0.3
- Contagem de Tautomeros: nothing
- Carga de Superfície: 0
- Superfície polar topológica: 74.6
- Peso Molecular: 116.07
Propriedades Experimentais
- LogP: -0.28820
- PSA: 74.60000
- Merck: 4287
- Índice de Refracção: 1.5260 (estimate)
- Coeficiente de partição da água: 0.63 g/100 mL (25 ºC)
- Ponto de ebulição: 355.5±25.0°C at 760 mmHg
- Ponto de Fusão: 298-300 °C (subl.) (lit.)
- Pressão de vapor: 1.7 mmHg ( 165 °C)
- Ponto de Flash: Fahrenheit: 446 ° f
Celsius: 230 ° c - FEMA: 2488
- Solubilidade: 95% ethanol: soluble0.46g/10 mL, clear, colorless
- Cor/Forma: 1 mg/g in D2O
- Cor/Forma: White particles or crystalline powder
- PH: 2.1 (4.9g/l, H2O, 20℃)
- Estabilidade/Prazo de validade: Stable at room temperature. Decomposes at around 230 C. Incompatible with strong oxidizing agents, bases, reducing agents. Combustible.
- Solubilidade: It is soluble in ethanol, slightly soluble in water and ether, but poorly soluble in chloroform, carbon tetrachloride and benzene.
- Sensibilidade: Sensitive to humidity
- pka: 3.02, 4.38(at 25℃)
- λmax: 220(lit.)
- Densidade: 1.625
- Odor: Odorless
-
Símbolo:
GHS07
- RTECS：LS9625000
- WGK Alemanha：1
- Instrução de Segurança：S26
- Frases de Risco：R36
-
Sinal de mercadorias perigosas：
Xi
- Número de transporte de matérias perigosas：UN 9126
- Declaração de perigo：H319
- Declaração de Advertência：P305+P351+P338
- Pedir：warning
- Condição de armazenamento：Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
- Código da categoria de perigo：36
- Palavra de Sinal：Warning
- TSCA：Yes
- Limite explosivo：40%
- CÓDIGO SH：29171900
- Dados aduaneiros：
China Customs Code:
2942000000
Circuito Sintético 1
Condições de reacção
+ Expandir
Referência
Synthesis of 2-(4-substituted-1-piperazinyl)benzimidazoles as H1-antihistaminic agents
,
Journal of Medicinal Chemistry,
1986,
29(7),
1178-83
Circuito Sintético 2
Condições de reacção
+ Expandir
1.1
Reagents:
Sodium hydroxide
,
Zinc
Solvents:
Ethanol
,
Water
2.1 -
3.1 Reagents: Phosphorus oxychloride
4.1 -
2.1 -
3.1 Reagents: Phosphorus oxychloride
4.1 -
Referência
Synthesis of 2-(4-substituted-1-piperazinyl)benzimidazoles as H1-antihistaminic agents
,
Journal of Medicinal Chemistry,
1986,
29(7),
1178-83
Circuito Sintético 3
Condições de reacção
+ Expandir
1.1R:R:O2, S:H2O, 175°C, 30 bar
Referência
- Lignin alkaline oxidation using reversibly-soluble bases, Green Chemistry, 2022, 24(22), 8733-8741
Circuito Sintético 4
Condições de reacção
+ Expandir
1.1
-
2.1 Reagents: Sodium hydroxide , Zinc Solvents: Ethanol , Water
3.1 -
4.1 Reagents: Phosphorus oxychloride
5.1 -
2.1 Reagents: Sodium hydroxide , Zinc Solvents: Ethanol , Water
3.1 -
4.1 Reagents: Phosphorus oxychloride
5.1 -
Referência
Synthesis of 2-(4-substituted-1-piperazinyl)benzimidazoles as H1-antihistaminic agents
,
Journal of Medicinal Chemistry,
1986,
29(7),
1178-83
Circuito Sintético 5
Condições de reacção
+ Expandir
Referência
Synthesis of 2-(4-substituted-1-piperazinyl)benzimidazoles as H1-antihistaminic agents
,
Journal of Medicinal Chemistry,
1986,
29(7),
1178-83
Circuito Sintético 6
Condições de reacção
+ Expandir
1.1
Reagents:
Acetone
;
3 h, 25 °C
Referência
Microflow photochemistry - a reactor comparison study using the photochemical synthesis of terebic acid as a model reaction
,
Tetrahedron Letters,
2012,
53(42),
5578-5581
Circuito Sintético 7
Condições de reacção
+ Expandir
1.1R:H2SO4, R:H2O2
Referência
- Electrochemical conversion of lignin to short-chain carboxylic acids, Green Chemistry, 2023, 25(8), 3127-3136
Circuito Sintético 8
Condições de reacção
+ Expandir
1.1
Reagents:
Diisopropylethylamine
Catalysts:
4-(Dimethylamino)pyridine
Solvents:
1,4-Dioxane
;
0 - 10 °C; < 10 °C
2.1 Reagents: Hydrogen Catalysts: Nickel Solvents: Acetic acid , Tetrahydrofuran , Water
3.1 Reagents: Sodium borohydride Solvents: Methanol
3.2 Solvents: Dimethylacetamide
2.1 Reagents: Hydrogen Catalysts: Nickel Solvents: Acetic acid , Tetrahydrofuran , Water
3.1 Reagents: Sodium borohydride Solvents: Methanol
3.2 Solvents: Dimethylacetamide
Referência
An efficient, scalable and eco-friendly synthesis of 4,5-substituted pyrrole-3-carbonitriles by intramolecular annulation on Pd/C and HZSM-5
,
ChemCatChem,
2019,
11(7),
1943-1948
Circuito Sintético 9
Condições de reacção
+ Expandir
1.1
Reagents:
Hydrogen
Catalysts:
Nickel
Solvents:
Acetic acid
,
Tetrahydrofuran
,
Water
2.1 Reagents: Sodium borohydride Solvents: Methanol
2.2 Solvents: Dimethylacetamide
2.1 Reagents: Sodium borohydride Solvents: Methanol
2.2 Solvents: Dimethylacetamide
Referência
An efficient, scalable and eco-friendly synthesis of 4,5-substituted pyrrole-3-carbonitriles by intramolecular annulation on Pd/C and HZSM-5
,
ChemCatChem,
2019,
11(7),
1943-1948
Circuito Sintético 10
Condições de reacção
+ Expandir
1.1
Reagents:
Phosphorus oxychloride
2.1 -
2.1 -
Referência
Synthesis of 2-(4-substituted-1-piperazinyl)benzimidazoles as H1-antihistaminic agents
,
Journal of Medicinal Chemistry,
1986,
29(7),
1178-83
- 1. Hydrothermal synthesis and magnetic behaviour of beta-Li3VF6 and Na3VF6 Lei Ge,Long Yuan,Keke Huang,Wenchun Feng,Hairui Fang,Shouhua Feng New J. Chem. 2015 39 5080
- 2. Preparation of CdS and Bi2S3 quantum dots co-decorated perovskite-type KNbO3 ternary heterostructure with improved visible light photocatalytic activity and stability for phenol degradation Beata Bajorowicz,Ewa Kowalska,Joanna Nadolna,Zhishun Wei,Maya Endo,Bunsho Ohtani,Adriana Zaleska-Medynska Dalton Trans. 2018 47 15232
- 3. The effects of cis and trans butenedioic acid on the physicochemical behavior of lumefantrine Devendrasingh Tomar,Anurag Lodagekar,Anilkumar Gunnam,Suryanarayana Allu,Rahul B. Chavan,Minakshi Tharkar,T. G. Ajithkumar,Ashwini K. Nangia,Nalini R. Shastri CrystEngComm 2022 24 156
- 4. Infrared spectroscopic studies of the heterogeneous reaction of ozone with dry maleic and fumaric acid aerosol particles Juan J. Nájera,Carl J. Percival,Andrew B. Horn Phys. Chem. Chem. Phys. 2009 11 9093
- 5. Organic linker geometry controlled synthesis of coordination polymer spheres and their thermal transformation to yolk–shell metal oxides Min Wang,Feng Wang,Jiping Ma,Jie Xu J. Mater. Chem. A 2014 2 15480
- 6. Kinetic studies of the heterogeneous oxidation of maleic and fumaric acid aerosols by ozone under conditions of high relative humidity Juan J. Nájera,Carl J. Percival,Andrew B. Horn Phys. Chem. Chem. Phys. 2010 12 11417
- 7. Development of a novel scoring system for identifying emerging chemical risks in the food chain J. Oltmanns,O. Licht,A. Bitsch,M.-L. Bohlen,S. E. Escher,V. Silano,M. MacLeod,R. Serafimova,G. E. N. Kass,C. Merten Environ. Sci.: Processes Impacts 2018 20 340
- 8. Growth characteristics of Ti-based fumaric acid hybrid thin films by molecular layer deposition Yan-Qiang Cao,Lin Zhu,Xin Li,Zheng-Yi Cao,Di Wu,Ai-Dong Li Dalton Trans. 2015 44 14782
- 9. CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity Fabian Fischer,Tobias Pientka,Haijun Jiao,Anke Spannenberg,Marko Hapke Catal. Sci. Technol. 2020 10 8005
- 10. A selective cocrystallization separation method based on non-covalent interactions and its application Na Wang,Jingkang Wang,Xin Huang,Ting Wang,Xin Li,Jinyue Yang,Ying Bao,Qiuxiang Yin,Hongxun Hao CrystEngComm 2021 23 1550
-
(E)-But-2-enoic acid N.o CAS.: 107-93-7 -
Iron(II) fumarate N.o CAS.: 141-01-5 -
Diethyl maleate N.o CAS.: 141-05-9 -
Diethyl fumarate N.o CAS.: 623-91-6 -
Dimethyl Maleate N.o CAS.: 624-48-6 -
(E)-Dimethyl fumarate N.o CAS.: 624-49-7 -
Bisoprolol Hemifumarate N.o CAS.: 104344-23-2 -
quetiapine fumarate N.o CAS.: 111974-72-2 -
Maleic acid N.o CAS.: 110-16-7 -
4-Methoxy-4-oxobut-2-enoic acid N.o CAS.: 2756-87-8
-
(CAS:110-17-8)Fumaric acid
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| Marca:a2bchem | Fornecedor:A2B Chem LLC | ||||||
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| AB46194-500g | 99+% | in stock | 500g | $7.00/ ¥50.84 | 05 Jan. 2024 | ||
| Marca:selleck | Fornecedor:Selleck中国 | ||||||
|---|---|---|---|---|---|---|---|
| Não. | Pureza | Existência | Especificação | Preço | Tempo de actualização | operar | |
| S4952-25mg | 98% | 现货 | 25mg | ¥795.22 | 15 Sep. 2023 | ||
| S4952-1g | 98% | 现货 | 1g | ¥7944.3 | 15 Sep. 2023 | ||
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| CS-W016599-100mg | ≥98.0% | In-stock | 100mg | $50.0/ ¥363.16 | 02 Sep. 2021 | ||
| Marca:安捷凯 | Fornecedor:武汉安捷凯生物医药科技有限公司 | ||||||
|---|---|---|---|---|---|---|---|
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| ajce45140-5g | 98% | 现货 | 5g | ￥445.00 | 08 Sep. 2023 | ||
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