Homopiperazine

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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-4H-1,4-diazepine

hexahydro-1,4-diazepine

1,4-Diazepane

Homopiperazine

HOJNEYSUCKLEEXTRACT

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

HSCode

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)

The metabolic fate of izencitinib, a gut-selective pan-JAK inhibitor, in humans. Identification of unusual fecal metabolites and implications for MIST evaluation

Publication Name: Medicinal Chemistry Research

Publication Date: 2023-09

DOI: 10.1007/s00044-023-03143-6

(2)

An Efficient Process for the Cyclization of N-β-hydroxyethyl-N-methyl-1,3-propanediamine to N-methylhomopiperazine Over Cu20Cr10Mg10/γ-Al2O3

Publication Date: 2011

Publication Name: Catalysis Letters

(3)

Synthesis, characterization and crystal structure of [Ni(DACH)2](H2O)2(CH3COO)2 (DACH = 1,4-diazacycloheptane): a three-dimensional (3-D) hydrogen-bonded network embodying 1-D water chains

Publication Date: 2006

Publication Name: Journal of Chemical Crystallography