1,3-Diphthalimido-2-propanol
Basic information
- CAS
73825-95-3- Standard SMILES
O=C1c2ccccc2C(=O)N1CC(O)CN1C(=O)c2ccccc2C1=O- InChIKey
PAMYSJPCAPDCNZ-UHFFFAOYSA-N- Molecular formula
- C19H14N2O5
- Average molar mass
- 350.3 g/mol
- Monoisotopic mass
- 350.09027155
Names & identifiers
- Preferred name
- 1,3-Diphthalimido-2-propanol
- IUPAC
- 2-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]isoindole-1,3-dione
- English name
- 2,2'-(2-Hydroxypropane-1,3-diyl)bis(2H-isoindole-1,3-dione)
- Molecular formula
- C19H14N2O5
- Molecular weight
- 350.32
Names & synonyms
73825-95-32-Propanol, 1,3-diphthalimido-1,3-Diphthalimido-2-propanol54HZ6L4Q2C1H-Isoindole-1,3(2H)-dione, 2,2'-(2-hydroxy-1,3-propanediyl)bis-NSC-101571DTXSID10224295RefChem:1052930DTXCID101467862,2'-(2-hydroxypropane-1,3-diyl)bis(1h-isoindole-1,3(2h)-dione)2,2'-(2-Hydroxypropane-1,3-diyl)bis(isoindoline-1,3-dione)2-[3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]isoindole-1,3-dione
Show more names
Rivaroxaban Impurity 121Phthalimide, N,N'-(2-hydroxytrimethylene)di1,3-bisorthobenzenediformylisoamineyl-2-propanol2,2'-(2-Hydroxypropane-1,3-diyl)bis(2H-isoindole-1,3-dione)2,2′-(2-Hydroxypropane-1,3-diyl)bis(1H-isoindole-1,3(2H)-dione), CAS 73825-95-32,2'-(2-hydroxypropane-1,3-diyl)bis(isoindoline-1,3-dione) (Rivaroxaban Impurity）2,2'-(2-hydroxypropane-1,3-diyl)bis(isoindoline-1,3-dione)? (Rivaroxaban Impurity）
Phthalimide, N,N'-(2-hydroxytrimethylene)di-N,N'-(2-Hydroxytrimethylene)diphthalimideMFCD01696968Rivaroxaban Impurity 1252-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-hydroxypropyl]-2,3-dihydro-1H-isoindole-1,3-dioneNSC 101571BRN 0385298NSC101571
Database identifiers
- CAS
73825-95-3- PubChem CID
- 97130
- DTXSID
DTXSID10224295- UNII
- 54HZ6L4Q2C
- Nikkaji
- J87.465E
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 546
Physicochemical properties
- Melting point
- 203 °C · 203 °C
- Boiling point
- 580.4 · 580.4±45.0 °C(Predicted)
- Density
- 1.502 · 1.502±0.06 g/cm3(Predicted)
- solubility
- Dichloromethane (Slightly), DMSO (Slightly)
- form
- Solid
- pka
- 13.62 · 13.62±0.20(Predicted)
- color
- White to Off-White
- InChI
- InChI=1S/C19H14N2O5/c22-11(9-20-16(23)12-5-1-2-6-13(12)17(20)24)10-21-18(25)14-7-3-4-8-15(14)19(21)26/h1-8,11,22H,9-10H2
- InChIKey
- PAMYSJPCAPDCNZ-UHFFFAOYSA-N
- SMILES
- C(N1C(=O)C2=C(C1=O)C=CC=C2)C(O)CN1C(=O)C2=C(C1=O)C=CC=C2
- FDA UNII
- 54 HZ6L4Q2C · 54HZ6L4Q2C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Chemistry & industry
Applications
Uses2,2''-(2-Hydroxypropane-1,3-diyl)bis(1H-isoindole-1,3(2H)-dione) is a reagent used for the preparation of functionalized tripodal ligands and their metal complexes for imaging applications.
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Related reactions
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Compound notes
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