Homopiperazine
What is Homopiperazine, cas no:505-66-8,a producer telling you the result.
CAS NO.505-66-8
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To begin with, let us tell you what is the basic information of Homopiperazine ?
Molecular Formula |
C5H12N2 |
Molecular Weight |
100.162 |
Density |
0.9±0.1 g/cm3 |
Boiling Point |
169.0±8.0 °C at 760 mmHg |
Flash Point |
64.4±0.0 °C |
Melting Point |
38-40 °C(lit.) |
Like many stuff, it has many synonyms as follows
EINECS 208-016-1 |
MFCD00006933 |
1,4-diazacycloheptane |
1,4-Diazacycloheptane,2,3,4,5,6,7-Hexahydro-1H-1,4-diazepine |
High-piperazine |
hexahydro-1,4-diazepine |
1,4-Diazepane |
Homopiperazine |
HPRZ |
1H-1,4-Diazepine, hexahydro- |
Homo-Piperazines |
hexahydro-1H-1,4-diazepine |
tetrahydro-1,4-diazepine |
First, the chemical is very special, some technical indexes as below
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Physical property data
1. Characteristic: undetermined
2. Density (g/cm3, 25/4 ℃): undetermined
3. Relative vapor density (g/cm3, air=1): undetermined
4. Melting point (º C): 38-40
5. Boiling point (º C, atmospheric pressure): 169
6. Boiling point (º C, 5.2kPa): undetermined
7. Refractive index: undetermined
8. Flash point (º F): 148
9. Specific rotation (º): not determined
10. Spontaneous combustion point or ignition temperature (º C): not determined
11. Vapor pressure (kPa, 25 º C): not determined
12. Saturated vapor pressure (kPa, 60 º C): not determined
13. Combustion heat (KJ/mol): undetermined
14. Critical temperature (º C): not determined
15. Critical pressure (KPa): undetermined
16. Logarithmic value of oil-water (octanol/water) partition coefficient: undetermined
17. Explosion upper limit (%, V/V): undetermined
18. Lower explosive limit (%, V/V): not determined
19. Solubility: undetermined
toxicology data
1. Skin/Eye Irritation Data: Standard Draize Test Rabbit Direct Contact with Skin: 5mg/24HREACTION SEVERITY: Severe;
Open the stimulation test and directly contact the rabbit's skin: 100 ug/24h;
Standard Draize test for rabbits with direct eye contact: 250ug/24HREACTION SEVERITY: Severe;
2. Acute toxicity: Rat oral LD50: 2830mg/kg, no detailed explanation except for lethal dose;
Rat dermal LD50: 1050uL/kg, no detailed explanation except for lethal dose;
Ecological data
This substance may be harmful to the environment and should be given special attention to water bodies.
Molecular structure data
1. Molar refractive index: 29.75
2. Molar volume (m3/mol): 116.2
3. Waiting ratio (90.2K): 265.8
4. Surface tension (dyne/cm): 27.3
5. Polarization rate (10-24cm3): 11.79
Calculate chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): -0.5
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: None
6. Topological molecular polarity surface area 24.1
7. Number of heavy atoms: 7
8. Surface charge: 0
9. Complexity: 39.3
10. Number of isotopic atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Nature and stability
Use and store according to specifications, will not decompose, avoid contact with oxides
Storage method
Sealed storage, placed in a ventilated and dry environment
Second, the Synthetic Route we will recommend is the most important for your reference?
First, synthesis line of Homopiperazine CAS NO.505-66-8 as follows
Third, what is the usage of Homopiperazine CAS NO.505-66-8 ? pleas see below
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The use of 505-66-8 is as an intermediate in the synthesis of organic medicine, especially for the synthesis of Fasudil hydrochloride.
This chemical substance, also known as piperazine, plays an important role in the chemical industry. It can not only be used as a pharmaceutical intermediate, but also as an industrial raw material. It is a colorless or pale yellow liquid with a wide range of applications, especially in the fields of organic and pharmaceutical synthesis. Specifically, in terms of the application of piperazine, it can be used to synthesize Fasudil hydrochloride, which is an important pharmaceutical intermediate of great significance for the development and production of drugs. In addition, there are various methods for preparing piperazine, including using N - (2-cyanoethyl) ethylenediamine as the raw material and using N - (β - hydroxy) -1,3-propanediamine as the raw material. These methods each have their own characteristics, some have mild reaction conditions, while others have high yields, but the operation is complex or the yield is low. Therefore, when selecting an appropriate synthesis route, it is necessary to comprehensively consider factors such as reaction conditions, yield, and safety.
Overall, 505-66-8, as an important organic synthesis intermediate, has broad application prospects in the fields of medicine and industry, especially in drug development. It provides the possibility for synthesizing key drugs and is of great significance for promoting the development of pharmaceutical science
Other usage:
Used for the synthesis of, 1-(2-phenylethyl)-1,4-diazepane Cas no. 40389-67-1
Used for the synthesis of 2-(1,4-Diazepan-1-yl)ethanol Cas no. 53427-65-9
Used for the synthesis of 1-methyl-4-(4-nitrophenyl)-1,4-diazepane Cas no. 223786-22-9
Besides Safety Information of Homopiperazine CAS NO.505-66-8 is also important when handling it
Hazard Codes |
Xi |
WGK Germany |
3 |
H.S.Code: |
2933 9900.99 |
TSCA |
Yes |
HazardClass |
IRRITANT |
What is the appearance of Homopiperazine CAS NO.505-66-8? Please see the picture of Homopiperazine CAS NO.505-66-8, below
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Specification of Homopiperazine CAS NO.505-66-8, is below
Apperance: white to light yellow crystal powder
Assay: 99 min by HPLC
IR identity: conform
Water:0.5% max by K.F.
H-NMR picture of Homopiperazine CAS NO.505-66-8 is as follows,
IR picture of Homopiperazine CAS NO.505-66-8 is as follows,
Reference of Article cited for your reference below,
(1)
Publication Name: Medicinal Chemistry Research
Publication Date: 2023-09
DOI: 10.1007/s00044-023-03143-6
(2)
Publication Date: 2011
Publication Name: Catalysis Letters
(3)
Publication Date: 2006
Publication Name: Journal of Chemical Crystallography