Azetidin-3-ol;hydron;chloride
AZETIDIN-3-OL HYDROCHLORIDE · 3-AZETIDINOL HYDROCHLORIDE · 3-HYDROXYAZETIDINE HCL · Azetidin-3-ol hydrochloride, 3-Hydroxyazetane hydrochloride · AZETAN-2-ONE · BUTTPARK 75\04-67 · Azetidine-3-ol.Hcl · Baricitinib-009-HCl
Identifiers & Physical Properties
| CAS No. | 18621-18-6 |
|---|---|
| Molecular formula | C3H8ClNO |
| Average molar mass | 109.55 g/mol |
| Monoisotopic mass | 109.0294416 g/mol |
| SMILES | OC1CNC1.[Cl-].[H+] |
| InChIKey | UQUPQEUNHVVNKW-UHFFFAOYSA-N |
| PubChem CID | 57504649 |
Chemical & Physical Properties
| Topological polar surface area | 32.3 |
|---|---|
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 0 |
| Heavy atoms | 6 |
| Formal charge | 0 |
| Complexity | 33.9 |
| Melting point | 85-90 °C |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Solubility | DMSO (Slightly), Methanol (Slightly), Water (Slightly)Soluble in water, DMSO, methanol. |
| Physical state | Solid |
| Color | White to Off-White |
| Sensitivity | Hygroscopic |
| Stability | Hygroscopic |
| InChI | InChI=1S/C3H7NO.ClH/c5-3-1-4-2-3/h3-5H,1-2H21H |
| InChIKey | UQUPQEUNHVVNKW-UHFFFAOYSA-N |
| SMILES | C1(O)CNC1.Cl |
| CAS DataBase Reference | 18621-18-6(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H302-H315-H318-H335 |
| GHS precautionary statements | P280-P301+P312+P330-P302+P352-P305+P351+P338+P310 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | C,Xi,Xn |
| Risk statements (R) | 36/37/38-41-37/38-22 |
| Safety statements (S) | 26-36/37/39 |
| UN transport number | UN1759 |
| Water hazard class (WGK) | 3 |
| Hazard Note | Harmful/Corrosive |
| Hazard class | IRRITANTAcute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| Customs code | 29339900 |
| Storage class | 11 - Combustible Solids |
| REACH registrations | Active |
Safety & Regulations
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
|---|---|
| Water hazard class (WGK) | 3 |
| UN transport number | UN1759 |
| Customs code | 29339900 |
| Risk statements (R) | 36/37/38-41-37/38-22 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS07 |
| Hazard symbols | C,Xi,Xn |
| hazard_note | Harmful/Corrosive |
| Safety statements (S) | 26-36/37/39 |
| Hazard class | IRRITANTAcute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H302-H315-H318-H335 |
| REACH registrations | Active |
| GHS precautionary statements | P280-P301+P312+P330-P302+P352-P305+P351+P338+P310 |
Applications & Uses
Description
3-hydroxyazaecyclobutane hydrochloride is an azaecyclobutane compound that is an important intermediate in the synthesis of Brectinib, which is obtained through a multi-step reaction. Brectinib was approved by the European Union. The monotherapy or in combination with methotrexate for the treatment of adult patients with moderate to severe active rheumatoid arthritis with inadequate or intolerant relief from one or more antirheumatic drugs. It is also the first JAK inhibitor approved in the European Union for the treatment of rheumatoid arthritis.
Uses
3-Hydroxyazetidine hydrochloride is an building block used in a recent synthesis of a fluoroquinolone antibiotic and a useful intermediate in the synthesis of polypeptides.