1-Boc-hexahydro-1,4-diazepine
1-Boc-hexahydro-1,4-diazepine Basic information
- Product Name:
- 1-Boc-hexahydro-1,4-diazepine
- Synonyms:
-
- [1,4]DIAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- 1-BOC-HEXAHYDRO-1,4-DIAZEPINE
- 1-BOC-HOMOPIPERAZINE
- 1-BOC-1,4-DIAZEPANE
- TERT-BUTYL HOMOPIPERAZINE-1-CARBOXYLATE
- TERT-BUTYL 1,4-DIAZEPANE-1-CARBOXYLATE
- TERT-BUTYL 1-HOMOPIPERAZINECARBOXYLATE
- N-(T-BUTYLOXYCARBONYL)-HOMOPIPERAZINE
- CAS:
- 112275-50-0
- MF:
- C10H20N2O2
- MW:
- 200.28
- EINECS:
- 628-955-4
- Product Categories:
-
- API intermediates
- Piperidines, Piperidones, Piperazines
- Heterocycles series
- Piperaizine
- Mol File:
- 112275-50-0.mol
1-Boc-hexahydro-1,4-diazepine Chemical Properties
- 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
- n20/D 1.471(lit.)
- 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)
MSDS
- Language:English Provider:SigmaAldrich
- Language:English Provider:ALFA
1-Boc-hexahydro-1,4-diazepine Usage And Synthesis
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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1-Boc-hexahydro-1,4-diazepine(112275-50-0)Related Product Information
- 1-N-Boc-5-oxo-1,4-diazepane
- 1-Boc-hexahydro-1,4-diazepine
- TETRT-BUTYL5-METHYL-1,4-DIAZEPANE-1-CARBOXYLATE
- Homopiperazine
- CYCLOHEPTANE
- 1-BOC-4-(CARBOXY-NAPHTHALEN-2-YL-METHYL)-[1,4]DIAZEPANE
- 1-BOC-4-(CARBOXY-THIOPHEN-3-YL-METHYL)-[1,4]DIAZEPANE
- 1-BOC-4-[CARBOXY-(1H-INDOL-2-YL)-METHYL]-[1,4]DIAZEPANE
- 4-(carboxy-p-tolyl-methyl)-[1,4]diazepane-1-carboxylic acid tert-butyl ester
- 1-BOC-4-(CARBOXY-PYRIDIN-3-YL-METHYL)-[1,4]DIAZEPANE
- 1-BOC-4-(BENZOFURAN-2-YL-CARBOXY-METHYL)-[1,4]DIAZEPANE
- 5-CYANO-2-[4-BUTOXYCARBONYL-1-(1,4-DIAZEPENYL)]-PYRIDINE
- 1-BOC-4-(CARBOXY-FURAN-2-YL-METHYL)-[1,4]DIAZEPANE
- 1-BOC-4-(CARBOXY-THIOPHEN-2-YL-METHYL)-[1,4]DIAZEPANE
- di(tert-butyl) 1,4-diazepane-1,4-dicarboxylate
- 1-BOC-4-(CARBOXY-PYRIDIN-4-YL-METHYL)-[1,4]DIAZEPANE
- BUTTPARK 75\08-55
- TERT-BUTYL 4-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]-1,4-DIAZEPANE-1-CARBOXYLAT E