Tert-butyl 4-(2-carbamoylbenzofuran-5-yl)piperazine-1-carboxylate
Completing data — refresh the page later to see the latest
Basic information
- CAS
183288-44-0- Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2ccc3oc(C(N)=O)cc3c2)CC1- InChIKey
RXWUUFACDXGVIO-UHFFFAOYSA-N- Molecular formula
- C18H23N3O4
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.16885622
Names & identifiers
- Preferred name
- Tert-butyl 4-(2-carbamoylbenzofuran-5-yl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-(2-carbamoyl-1-benzofuran-5-yl)piperazine-1-carboxylate
- English name
- 5-(4-tert-Butoxycarbonyl-2-piperazinyl)benzofuran-2-carboxaMide
- Molecular formula
- C18H23N3O4
- Molecular weight
- 345.39
Names & synonyms
183288-44-0Tert-butyl 4-(2-carbamoylbenzofuran-5-yl)piperazine-1-carboxylatetert-butyl 4-(2-carbamoyl-1-benzofuran-5-yl)piperazine-1-carboxylate4-[2-(Aminocarbonyl)-5-benzofuranyl]-1-piperazinecarboxylic Acid tert-Butyl EsterMFCD222085581-Piperazinecarboxylic acid, 4-[2-(aminocarbonyl)-5-benzofuranyl]-, 1,1-dimethylethyl ester4-[2-(Aminocarbonyl)-5-benzofuranyl]-1-piperazinecarboxylic Acid 1,1-Dimethylethyl Ester5-(4-tert-butoxycarbonyl-1-piperazinyl)benzofuran-2-carboxamidetert-butyl4-(2-carbamoylbenzofuran-5-yl)piperazine-1-carboxylateorb3143669SCHEMBL1769434DTXSID90459987
Show more names
5-(4-tert-Butoxycarbonyl-2-piperazinyl)benzofuran-2-carboxaMidetert-butyl 3-(2-carbamoylbenzofuran-5-yl)piperazine-1-carboxylate
CS-M1870TYD-03007AKOS016004216tert-butyl 4-[2-(aminocarbonyl)-1-benzofuran-5-yl]piperazine-1-carboxylateCS-13074DA-182821-Boc-4-(2-carbamoylbenzofuran-5-yl)piperazineF789404
Database identifiers
- CAS
183288-44-0- PubChem CID
- 11244883
- DTXSID
DTXSID90459987- EC Number
- 696-273-4
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 89 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 511
Physicochemical properties
- Melting point
- 200 °C · >200°C (dec.)
- Boiling point
- 544 ℃ · 544℃
- Density
- 1.253 · 1.253
- Flash point
- 283 ℃ · 283℃
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 15.79 · 15.79±0.30(Predicted)
- form
- Solid
- color
- Off-White to Pale Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesIntermediate in the synthesis of Vilazodone
Related reactions
9 records
Compound notes
Loading…