Tert-butyl 3-iodo-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxylate
Completing data — refresh the page later to see the latest
Basic information
- CAS
1823263-02-0- Standard SMILES
CC(C)(C)OC(=O)N1CCCn2ncc(I)c2C1- InChIKey
KARJAMVBTXLMDA-UHFFFAOYSA-N- Molecular formula
- C12H18IN3O2
- Average molar mass
- 363.19 g/mol
- Monoisotopic mass
- 363.04437
Names & identifiers
- Preferred name
- Tert-butyl 3-iodo-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxylate
- IUPAC
- tert-butyl 3-iodo-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxylate
- English name
- 4H-Pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxylic acid, 7,8-dihydro-3-iodo-, 1,1-dimethylethyl ester
- Molecular formula
- C12H18IN3O2
- Molecular weight
- 363.19
Names & synonyms
1823263-02-0tert-butyl 3-iodo-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxylateMFCD23381327tert-Butyl 3-iodo-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxylatetert-butyl 3-iodo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine-5-carboxylatestarbld0043875PS-19650SY323676D96995F8449035-Boc-3-iodo-4H,5H,6H,7H,8H-pyrazolo[1,5-a][1,4]diazepine5-Boc-3-iodo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
Show more names
tert-butyl 3-iodo-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxylate - [B83985]4H-Pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxylic acid, 7,8-dihydro-3-iodo-, 1,1-dimethylethyl ester
tert-Butyl 3-iodo-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxylat
Database identifiers
- CAS
1823263-02-0- PubChem CID
- 130058758
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Boiling point
- 427.7 · 427.7±40.0 °C(Predicted)
- Density
- 1.65 · 1.65±0.1 g/cm3(Predicted)
- pka
- 0.55 · 0.55±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…