- A Novel M8L6 Cubic Cage That Binds Tetrapyridyl Porphyrins: Cage and Solvent Effects in Cobalt-Porphyrin-Catalyzed Cyclopropanation ReactionsMouarrawis, Valentinos; Bobylev, Eduard O.; de Bruin, Bas; Reek, Joost N. H., Chemistry - A European Journal (2021, 2021, 27(32), 8390-8397
Cas no 1520-50-9 (2-Butenedioic acid, diethyl ester)
1520-50-9 structure
Product Name:2-Butenedioic acid, diethyl ester
2-Butenedioic acid, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenedioic acid, diethyl ester
- diethyl fumarate
- AKOS025243721
- Ethyl maleate
- DB-054151
- 1520-50-9
- diethyl but-2-enedioate
- butenedioic acid diethyl ester
- Diethyl 2-butenedioate
- bis(ethoxycarbonyl)ethylene
- DTXSID8048151
- 2-Butenedioic acid (2E)-, 1,4-diethyl ester
- IEPRKVQEAMIZSS-UHFFFAOYSA-N
-
- Inchi： 1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3
- InChI Key： IEPRKVQEAMIZSS-UHFFFAOYSA-N
- SMILES： O(C(C=CC(=O)OCC)=O)CC
Computed Properties
- Exact Mass: 172.07400
- Monoisotopic Mass: 172.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 164
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 0.9
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.60000
- LogP: 0.66880
2-Butenedioic acid, diethyl ester Production Method
Production Method 1
Reaction Conditions
1.1 Catalysts: 2803878-20-6 Solvents: N,N-Dimethylformamide-d7 ; 30 h, 40 °C
Reference
Production Method 2
Reaction Conditions
1.1C:1621429-45-5, C:AgO3SCF3, S:CH2Cl2, rt → -5°C
1.2S:CH2Cl2, 1 h, -5°C; overnight, -5°C
1.2S:CH2Cl2, 1 h, -5°C; overnight, -5°C
Reference
- Versatile coordination chemistry of a bis(methyliminophosphoranyl)pyridine ligand on copper centresBy Cheisson, Thibault and Auffrant, Audrey, Dalton Transactions, 2014, 43(35), 13399-13409
Production Method 3
Reaction Conditions
1.1C:2803878-20-6, S:DMF, 30 min, 40°C
1.230 h, 40°C
1.230 h, 40°C
Reference
- A Novel M8L6 Cubic Cage That Binds Tetrapyridyl Porphyrins: Cage and Solvent Effects in Cobalt-Porphyrin-Catalyzed Cyclopropanation ReactionsBy Mouarrawis, Valentinos et al, Chemistry - A European Journal, 2021, 27(32), 8390-8397
2-Butenedioic acid, diethyl ester Raw materials
2-Butenedioic acid, diethyl ester Preparation Products
2-Butenedioic acid, diethyl ester Related Literature
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Xiuxia Yang,Lei Zhao,Zhichao Liu,Shuyu Tian,Hao Zhang,Xuhui Xu,Jianbei Qiu,Xue Yu Phys. Chem. Chem. Phys., 2020,22, 16294-16300
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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5. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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