2,4,3-Benzodioxaphosphepin-3-amine, N,N-diethyl-1,5-dihydro-
Basic information
- CAS
82372-35-8- Standard SMILES
CCN(CC)P1OCc2ccccc2CO1- InChIKey
JDAKPBBWYIWXJF-UHFFFAOYSA-N- Molecular formula
- C12H18NO2P
- Average molar mass
- 239.25 g/mol
- Monoisotopic mass
- 239.10751581
Names & identifiers
- Preferred name
- 2,4,3-Benzodioxaphosphepin-3-amine, N,N-diethyl-1,5-dihydro-
- IUPAC
- N,N-diethyl-1,5-dihydro-2,4,3-benzodioxaphosphepin-3-amine
- English name
- N,N-Diethyl-1,5-dihydro-2,4,3-benzodioxaphosphepin-3-amine
- Molecular formula
- C12H18NO2P
- Molecular weight
- 239.25
Names & synonyms
2,4,3-Benzodioxaphosphepin-3-amine, N,N-diethyl-1,5-dihydro-RefChem:44269282372-35-8N,N-diethyl-1,5-dihydro-2,4,3-benzodioxaphosphepin-3-amine3-(Diethylamino)-1,5-dihydro-2,4,3-benzodioxaphosphepinN,N-diethyl-1,5-dihydrobenzo[e][1,3,2]dioxaphosphepin-3-amineo-Xylylene N,N-diethylphosphoramiditeSCHEMBL369440DTXSID90400691MFCD00192025AT24267o-Xylylene N,N-diethylphosphoramidite, technical grade
Show more names
N,N-diethyl-1,5-dihydro-2,4,3-benzodioxa-phosphepo-Xylylene N,N-diethylphosphoraMidite technical grade3-(diethylamino)-1,5-dihydro-2,4,3-benzodioxaphosphepineN,N-diethyl-1,5-dihydro-2,3,4-benzodioxaphosphepin-3-amine
n,n-diethyl-1,5-dihydro-3h-2,4,3-benzodioxaphosphepin-3-amineC12H18NO2PSCHEMBL30557914FD162026SY288837N,N-diethyl-1,5-dihydro-2,4,3-benzo-dioxaphosphepin-3-amine(1,5-DIHYDRO-BENZO[E][1,3,2]DIOXAPHOSPHEPIN-3-YL)-DIETHYL-AMINE
Database identifiers
- CAS
82372-35-8- PubChem CID
- 4196879
- DTXSID
DTXSID90400691- Nikkaji
- J1.606.138G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 95 · 95-96 °C/0.1 mmHg (lit.)
- Density
- 1.109 g/mL · 1.109 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.541(lit.)
- Flash point
- 190 °F · 190 °F
- solubility
- THF: soluble
- pka
- 4.01 · 4.01±0.20(Predicted)
- form
- liquid
- Water Solubility
- THF: solubleacetonitrile: solublecold water: insolubledichloromethane: soluble
- BRN
- 3590087 · 3590087
- InChI
- 1S/C12H18NO2P/c1-3-13(4-2)16-14-9-11-7-5-6-8-12(11)10-15-16/h5-8H,3-4,9-10H2,1-2H3
- InChIKey
- JDAKPBBWYIWXJF-UHFFFAOYSA-N
- SMILES
- CCN(CC)P1OCc2ccccc2CO1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information2,4,3-Benzodioxaphosphepin-3-amine, N,N-diethyl-1,5-dihydro-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- F
- 10-21
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- ridadr
- NA 1993 / PGIII
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Applications
UsesN,N-Diethyl-1,5-dihydro-2,4,3-benzodioxaphosphepin-3-amine is a phosphitylating reagent for organic reactions.
Useso-Xylylene N,N-diethylphosphoramidite (N,N-diethyl-1,5-dihydro-2,4,3-benzodioxaphosphepin-3-amine) may be used in the synthesis of the following:bicyclic glycosyl phosphitepentakis(o-xylylene phosphate)o-xylylene alkyl phosphites
Upstream & downstream products
Upstream raw materials
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
5 records
Compound notes
Loading…