1-Boc-hexahydro-1,4-diazepine
- CAS No.
- 112275-50-0
- Chemical Name:
- 1-Boc-hexahydro-1,4-diazepine
- Synonyms
- TERT-BUTYL 1,4-DIAZEPANE-1-CARBOXYLATE;1-BOC-HOMOPIPERAZINE;HPBOC;BOC-HOPIZ;BOC-HOPAZ;Boc-HomoPiz;Boc-HoPaz*HCl;Boc-HoPiz, liq.;CAS:112275-50-0;BUTTPARK 27\08-71
- CBNumber:
- CB8230427
- Molecular Formula:
- C10H20N2O2
- Molecular Weight:
- 200.28
- MOL File:
- 112275-50-0.mol
- Modify Date:
- 2025/1/27 9:38:02
| Melting point | 143.4 °C |
|---|---|
| Boiling point | 95-110 °C0.5 mm Hg(lit.) |
| Density | 1.016 g/mL at 20 °C(lit.) |
| refractive index |
n |
| Flash point | >230 °F |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| pka | 10.45±0.20(Predicted) |
| form | Liquid |
| Specific Gravity | 1.016 |
| color | Colorless to yellow |
| Water Solubility | Not miscible or difficult to mix in water. |
| Sensitive | Air Sensitive |
| BRN | 7581789 |
| CAS DataBase Reference | 112275-50-0(CAS DataBase Reference) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-36 | |||||||||
| RIDADR | 2735 | |||||||||
| WGK Germany | 3 | |||||||||
| F | 10-34 | |||||||||
| Hazard Note | Irritant | |||||||||
| HazardClass | IRRITANT, KEEP COLD | |||||||||
| HazardClass | 8 | |||||||||
| HS Code | 29339900 | |||||||||
| NFPA 704 |
|
1-Boc-hexahydro-1,4-diazepine Chemical Properties,Uses,Production
Chemical Properties
Colorless to yellow liquid
Uses
1-Boc-hexahydro-1,4-diazepine is a diazepine derivative used in the preparation of pharmaceutical compounds such as histamine H3-receptor antagonists and dipeptidyl peptidase IV (DPP-IV) inhibitors.
General Description
1-Boc-hexahydro-1,4-diazepine is an N-boc protected homopiperazine. Its enthalpy of vaporization at boiling point (558.15K) is 49.498kjoule/mol.
Synthesis
To a solution of di-tert-butyldicarbonate (2.201 g, 9.780 mmol) in acetic acid (9.8 mL), a solution of 1,4-diazepane (1.0 g, 9.780 mmol) in acetic acid (9.8 mL) is added at room temperature. After 24 hours, water is added and the pH is adjusted to 10 using 10% NaOH. The aqueous phase is then extracted with dichloromethane (2 x 15 mL). The organic phase is dried and the solvent is evaporated to obtain tert-butyl 1,4-diazepane-1-carboxylate (1-Boc-hexahydro-1,4-diazepine) with a yield of 90.0%.
Precautions
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Store under inert gas. It is sensitive to air.
References
Synthesis and biological activity of novel 1,4-diazepane derivatives as factor Xa inhibitor with potent anticoagulant and antithrombotic activity. Bioorganic &Medicinal Chemistry. 2004, 12 (9), 2179-2191.
Discovery and structure-activity relationship of thienopyridine derivatives as bone anabolic agents. Bioorganic & medicinal chemistry. 2013, 21 (7), 1628-1642.
1-Boc-hexahydro-1,4-diazepine Preparation Products And Raw materials
Raw materials
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| Supplier | Tel | Country | ProdList | Advantage | Inquiry |
|---|---|---|---|---|---|
| GLR Innovations | +91 9891111994 | New Delhi, India | 4535 | 58 | Inquiry |
| Ergam Life Sciences Pvt. Ltd. | +91-8125300959 +91-08125300959 | Telangana, India | 68 | 58 | Inquiry |
| Dextro Organics | +91-8639914723 +91-8639914723 | Telangana, India | 19 | 58 | Inquiry |
| LANSPHARMA | +91-9000766909 +91-9000766909 | Telangana, India | 433 | 58 | Inquiry |
| Reax Chemicals | 08048372701Ext 416 | Hyderabad, India | 4217 | 58 | Inquiry |
| Ergam life sciences Pvt Ltd | 08069033866Ext 431 | Hyderabad, India | 58 | 58 | Inquiry |
| Dextro Organics | 91-40-1822556 | Hyderabad, India | 10 | 58 | Inquiry |
| TSK Lifesciences | 91-9397306789 | Hyderabad, India | 246 | 58 | Inquiry |
| OCEAN TRADING CORPORATION | +91(22) 24921669 | New Delhi, India | 6202 | 58 | Inquiry |
| TCI Chemicals (India) Pvt. Ltd. | 1800 425 7889 | New Delhi, India | 6768 | 58 | Inquiry |
| Supplier | Advantage |
|---|---|
| GLR Innovations | 58 |
| Ergam Life Sciences Pvt. Ltd. | 58 |
| Dextro Organics | 58 |
| LANSPHARMA | 58 |
| Reax Chemicals | 58 |
| Ergam life sciences Pvt Ltd | 58 |
| Dextro Organics | 58 |
| TSK Lifesciences | 58 |
| OCEAN TRADING CORPORATION | 58 |
| TCI Chemicals (India) Pvt. Ltd. | 58 |
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