Basic information
- CAS
55894-94-5- Standard SMILES
CC1=C(C)OP(=O)(OP2(=O)OC(C)=C(C)O2)O1- InChIKey
NZXHMOAFTMHVGU-UHFFFAOYSA-N- Molecular formula
- C8H12O7P2
- Average molar mass
- 282.12 g/mol
- Monoisotopic mass
- 282.00582671
Names & identifiers
- Preferred name
- 2,2'-Oxybis(4,5-dimethyl-2H-1,3,2lambda~5~-dioxaphosphol-2-one)
- IUPAC
- 2-[(4,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphol-2-yl)oxy]-4,5-dimethyl-1,3,2λ5-dioxaphosphole 2-oxide
- English name
- Bis(dimethylvinylene) pyrophosphate
- Molecular formula
- C8H12O7P2
- Molecular weight
- 282.12
Names & synonyms
55894-94-5DTXSID203208332,2'-Oxybis(4,5-dimethyl-2H-1,3,2lambda~5~-dioxaphosphol-2-one)RefChem:242317DTXCID40271954BIS(DIMETHYLVINYLENE) PYROPHOSPHATE2-[(4,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphol-2-yl)oxy]-4,5-dimethyl-1,3,2lambda5-dioxaphosphole 2-oxideNSC365115SCHEMBL6254661NSC-365115Bis(4,5-dimethyl-2-oxo-1,3,2-dioxaphospholenyl) Oxide1,3,2-Dioxaphosphole, 2,2'-oxybis[4,5-dimethyl-, 2,2'-dioxide
Database identifiers
- CAS
55894-94-5- PubChem CID
- 339276
- DTXSID
DTXSID20320833
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 436
Physicochemical properties
- Boiling point
- 308 · 308.0±25.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- solubility
- widely sol organic solvents
Chemistry & industry
Applications
DescriptionBIS(DIMETHYLVINYLENE) PYROPHOSPHATE is a phosphorylating agent; selective for primary alcohols over secondary alcohols, especially in the presence of triethylamine; used for the preparation of various unsymmetrical phosphodiesters; precursor of the more reactive phosphorylating agents 4,5-dimethyl-2-chloro-2-oxo-1,3,2-dioxaphosphole and 4,5-dimethyl-2-(1′-imidazolyl)-2- oxo-1,3,2-dioxaphosphole.
Preparation methods
PreparationBIS(DIMETHYLVINYLENE) PYROPHOSPHATE can be prepared from 4,5-dimethyl-2-methoxy-2-oxo-1,3,2-dioxaphosphole (1) by treatment with pyridine in benzene to form the salt (2), followed by reaction with phosgene in benzene (eq 1). The solid (3) is recrystallized from CH2Cl2/hexanes.
Suppliers2 total
Chemiplus Corporation[email protected]
凯方医药科技有限公司—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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