Basic Information | Post buying leads | Suppliers | Cas Database |
1,4-Diazacycloheptane
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol for 3h; Reflux; | 87% |
1,4-Diazacycloheptane
Conditions | Yield |
---|---|
With sodium hydroxide In toluene Autoclave; Reflux; Large scale; | 85% |
1,4-Diazacycloheptane
Conditions | Yield |
---|---|
Stage #1: 1,4-bistrifluoroacetyl homopiperazine With hydrogenchloride In ethanol at 40℃; for 5h; Autoclave; Large scale; Stage #2: With sodium hydroxide In water; toluene at 20℃; for 1h; Autoclave; Large scale; | 83.05% |
Conditions | Yield |
---|---|
With hydrogen bromide | |
With 1,4-dioxane; hydrogen; nickel at 200℃; under 14710.2 Torr; |
Conditions | Yield |
---|---|
With sulfuric acid |
Conditions | Yield |
---|---|
With 1,4-dioxane; hydrogen; nickel at 200℃; under 29420.3 Torr; |
1,4-Diazacycloheptane
2-fluoropyridine
1,4-bis-(2-pyridyl)-1,4-diazacycloheptane
Conditions | Yield |
---|---|
With triethylamine; Polytetrafluoroethylene In tetrahydrofuran at 100℃; under 6000480 Torr; for 96h; | 100% |
With triethylamine In tetrahydrofuran at 100℃; under 6000480 Torr; for 96h; | 100% |
Conditions | Yield |
---|---|
Stage #1: 1,4-Diazacycloheptane With n-butyllithium In tetrahydrofuran at 20℃; for 1h; Metallation; Stage #2: benzoyl chloride In tetrahydrofuran Acylation; Stage #3: 2-Methoxybenzoyl chloride In tetrahydrofuran Acylation; | 100% |
1,4-Diazacycloheptane
Conditions | Yield |
---|---|
100% |
1,4-Diazacycloheptane
(E,E)-5-(3,4,5-trimethoxyphenyl)-2,4-pentadienoic acid
Conditions | Yield |
---|---|
100% |
The Homopiperazine, with its CAS registry number 505-66-8, has the IUPAC name of 1,4-diazepane. For being a kind of white to light yellow crystalline mass, it is sensitive to air and hygroscopic, with its product categories including piperaizine.
The characteristics of this chemical are as below: (1)ACD/LogP: -0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.43; (4)ACD/LogD (pH 7.4): -3.56; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 6.48; (13)Index of Refraction: 1.425; (14)Molar Refractivity: 29.75 cm3; (15)Molar Volume: 116.2 cm3; (16)Polarizability: 11.79×10-24 cm3; (17)Surface Tension: 27.3 dyne/cm; (18)Density: 0.861 g/cm3; (19)Flash Point: 64.4 °C; (20)Enthalpy of Vaporization: 40.54 kJ/mol; (21)Boiling Point: 169 °C at 760 mmHg; (22)Vapour Pressure: 1.57 mmHg at 25°C; (23)Exact Mass: 100.100048; (24)MonoIsotopic Mass: 100.100048; (25)Topological Polar Surface Area: 24.1; (26)Heavy Atom Count: 7; (27)Complexity: 39.3; (28)Covalently-Bonded Unit Count: 1.
Use of this chemical: Homopiperazine could react with 2-bromo-thiazole to produce 1,4-bis-(2-thiazolyl)-1,4-diazacycloheptane. This reaction could happen in the presence of the reagent of triethylamin and the solvent of tetrahydrofuran, and it needs the reaction time of 4 days, the reaction temp. of 100 ℃ and the reaction pressure of 6.00048E+06.
When you are dealing with this chemical, you should be cautious. For one thing, it is irritant which may cause inflammation to the skin or other mucous membranes. And it is harmful if in contact with skin and then may causes burns; For another thing, it is corrosive which may destroy living tissue on contact. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice, and if in case of accident or if you feel unwell seek medical advice immediately (show the label where possible). And if contact, take off immediately all contaminated clothing.
Additionally, you could obtain the molecular structure by converting the following datas:
(1)Canonical SMILES: C1CNCCNC1
(2)InChI: InChI=1S/C5H12N2/c1-2-6-4-5-7-3-1/h6-7H,1-5H2
(3)InChIKey: FQUYSHZXSKYCSY-UHFFFAOYSA-N
Below are the toxicity information of this chemical:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LD50 | skin | 1050uL/kg (1.05mL/kg) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. | |
rat | LD50 | oral | 2830mg/kg (2830mg/kg) | American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962. |