Cas no 66827-11-0 (diethyl 2-(diethoxyphosphoryl)hexanedioate)
66827-11-0 structure
Product Name:diethyl 2-(diethoxyphosphoryl)hexanedioate
CAS No:66827-11-0
MF:C14H27O7P
MW:338.333746194839
CID:881356
PubChem ID:281208
Update Time:2025-04-19
diethyl 2-(diethoxyphosphoryl)hexanedioate Chemical and Physical Properties
Names and Identifiers
-
- diethyl 2-(diethoxyphosphoryl)hexanedioate
- diethyl 2-diethoxyphosphorylhexanedioate
- 1,4-Bis-ethoxycarbonyl-butan-1-phosphonsaeure-diethylester
- AC1L5U01
- AC1Q6SQQ
- AG-J-56958
- AR-1J1823
- CTK5C5276
- Hexanedioic acid, 2-(diethoxyphosphinyl)-, diethyl ester
- NSC133827
- NSC-133827
- 66827-11-0
- DTXSID50299947
-
- Inchi： 1S/C14H27O7P/c1-5-18-13(15)11-9-10-12(14(16)19-6-2)22(17,20-7-3)21-8-4/h12H,5-11H2,1-4H3
- InChI Key： ITWGVISSEZQABA-UHFFFAOYSA-N
- SMILES： P(C(C(=O)OCC)CCCC(=O)OCC)(=O)(OCC)OCC
Computed Properties
- Exact Mass: 338.14951
- Monoisotopic Mass: 338.149
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 22
- Rotatable Bond Count: 14
- Complexity: 373
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 88.1?2
Experimental Properties
- Density: 1.113
- Boiling Point: 411.3°C at 760 mmHg
- Flash Point: 216°C
- Refractive Index: 1.444
- PSA: 88.13
- LogP: 2.91760
diethyl 2-(diethoxyphosphoryl)hexanedioate Related Literature
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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