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;tert-butyl 1,4-diazocane-1-carboxylate;1-BOC-1,4-DIAZEPANE;1-(TERT-BUTOXYCARBONYL)HOMOPIPERAZINE;HPBOC;BOC-HOPAZ;BOC-HOPIZ;Boc-HomoPiz;Boc-HoPaz*HCl
- CBNumber:
- CB8230427
- Molecular Formula:
- C10H20N2O2
- Molecular Weight:
- 200.28
- MDL Number:
- MFCD00276987
- MOL File:
- 112275-50-0.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| 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 |
| InChI | InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-7-4-5-11-6-8-12/h11H,4-8H2,1-3H3 |
| InChIKey | WDPWEXWMQDRXAL-UHFFFAOYSA-N |
| SMILES | N1(C(OC(C)(C)C)=O)CCCNCC1 |
| CAS DataBase Reference | 112275-50-0(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
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 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | Eyeshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| 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 | |||||||||
| Storage Class | 10 - Combustible liquids | |||||||||
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
|||||||||
| NFPA 704 |
|
1-Boc-hexahydro-1,4-diazepine price More Price(77)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 511382 | 1-Boc-hexahydro-1,4-diazepine 98% | 112275-50-0 | 5g | $144 | 2026-04-30 | Buy |
| TCI Chemical | B6228 | 1-(tert-Butoxycarbonyl)homopiperazine min. 98.0 % | 112275-50-0 | 1G | $19 | 2026-04-30 | Buy |
| TCI Chemical | B6228 | 1-(tert-Butoxycarbonyl)homopiperazine min. 98.0 % | 112275-50-0 | 5G | $72 | 2026-04-30 | Buy |
| Usbiological | 265573 | Boc-homopiperazine Asreported | 112275-50-0 | 2g | $333 | 2026-06-03 | Buy |
| Usbiological | 265573 | Boc-homopiperazine Asreported | 112275-50-0 | 5g | $490 | 2026-06-03 | Buy |
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.
Uses
1-Boc-homopiperazine is used in synthesis of potent anticoagulant. It is also used to produce 4-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)-[1,4]diazepane-1-carboxylic acid tert-butyl ester by reaction with 11-bromo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline.
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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Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Shanghai Targsense Scientific Co., Ltd. | 18916626092 | targsense@qq.com | China | 110 | 65 |
| Shanghai Hobor Chemical Co., Ltd | 13918007836 | sales@hoborchem.com | China | 423 | 60 |
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Meryer (Shanghai) Chemical Technology Co., Ltd. | 4006356688 18621169109 | market03@meryer.com | China | 40202 | 62 |
| INTATRADE GmbH | +49 3493/605464 | sales@intatrade.de | Germany | 3563 | 66 |
| ITIC MEDCHEM(SUZHOU) CO.,LTD. | 0512-68323967 18015559028 | sales@iticmedchem.com | China | 528 | 61 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Wuhan Chemwish Technology Co., Ltd | 86-027-67849912 | sales@chemwish.com | China | 35884 | 56 |
| Capot Chemical Co., Ltd | +86 (0) 571 85 58 67 18 | China | 18187 | 66 |
View Lastest Price from 1-Boc-hexahydro-1,4-diazepine manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2019-07-06 | 1-Boc-hexahydro-1,4-diazepine
112275-50-0
|
$8.00 | 1kg | 99% | 10tons | Career Henan Chemical Co |
-
- 1-Boc-hexahydro-1,4-diazepine
112275-50-0
- $8.00
- 99%
- Career Henan Chemical Co
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