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Cas no 22646-79-3 (Dimethyl cyclohex-1-ene-1,4-dicarboxylate)
22646-79-3 structure
Product Name:Dimethyl cyclohex-1-ene-1,4-dicarboxylate
CAS No:22646-79-3
MF:C10H14O4
MW:198.215763568878
CID:2659821
Update Time:2023-08-06
Dimethyl cyclohex-1-ene-1,4-dicarboxylate Chemical and Physical Properties
Names and Identifiers
-
- dimethyl 1-cyclohexen-1,4-dicarboxylate
- dimethyl cyclohex-1-ene-1,4-dicarboxylate
- BSHSHYMAFOAWMD-UHFFFAOYSA-N
- 1-Cyclohexene-1,4-dicarboxylic acid dimethyl ester
- Dimethyl cyclohex-1-ene-1,4-dicarboxylate
-
- Inchi: 1S/C10H14O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3,8H,4-6H2,1-2H3
- InChI Key: BSHSHYMAFOAWMD-UHFFFAOYSA-N
- SMILES: O(C)C(C1CC=C(C(=O)OC)CC1)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 267
- Topological Polar Surface Area: 52.6
Experimental Properties
- Density: 1.1825 (rough estimate)
- Melting Point: 39°C
- Boiling Point: 295.53°C (rough estimate)
- Refractive Index: 1.5550 (estimate)
Dimethyl cyclohex-1-ene-1,4-dicarboxylate Production Method
Production Method 1
Reaction Conditions
1.1 Solvents: Diglyme ; 24 h, 1.79 MPa, 165 °C
1.2 Catalysts: Palladium ; rt; rt → 169 °C; 8 h, 169 °C
1.2 Catalysts: Palladium ; rt; rt → 169 °C; 8 h, 169 °C
Reference
Dimethyl cyclohex-1-ene-1,4-dicarboxylate Raw materials
Dimethyl cyclohex-1-ene-1,4-dicarboxylate Preparation Products
Dimethyl cyclohex-1-ene-1,4-dicarboxylate Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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