4-Benzylmorpholine-2,3-dione
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Basic information
- CAS
110843-90-8- Standard SMILES
O=C1OCCN(Cc2ccccc2)C1=O- InChIKey
ZOYULESMFLWDHB-UHFFFAOYSA-N- Molecular formula
- C11H11NO3
- Average molar mass
- 205.21 g/mol
Names & identifiers
- Preferred name
- 4-Benzylmorpholine-2,3-dione
- IUPAC
- 4-benzylmorpholine-2,3-dione
- English name
- 4-Benzyl-2,3-Morpholinedione
- Molecular formula
- C11H11NO3
- Molecular weight
- 205.21
Names & synonyms
4-benzylmorpholine-2,3-dione110843-90-84-Benzyl-2,3-morpholinedioneMFCD06010993Aprepitant Impurity 44BAS 09626783SCHEMBL16488375AKOS000566059AS-59521SY271005DB-205568CS-0325263
Show more names
4-benzylmorpholine-2,3-dione*2,3-Morpholinedione, 4-(phenylmethyl)-4-benzylmorpholine-2,3-dione(WXC03066)
W18695SR-01000323644SR-01000323644-1
Database identifiers
- CAS
110843-90-8- Nikkaji
- J2.109.607E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 259
Chemistry & industry
Applications
Uses4-Benzyl-2,3-morpholinedione, is an intermediate used in the synthesis of NK1 Receptor Antagonist Aprepitant (A729800), used as as antiemetic drug.
Related reactions
0 records
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Compound notes
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