Perhydro-1,4-diazepin

Bezeichnung:Perhydro-1,4-diazepin

CAS-Nr505-66-8

Englisch Name:Homopiperazine

CBNumberCB7138982

SummenformelC5H12N2

Molgewicht100.16

MOL-Datei505-66-8.mol

Synonyma

Perhydro-1,4-diazepin

Perhydro-1,4-diazepin physikalisch-chemischer Eigenschaften

Schmelzpunkt	38-40 °C (lit.)
Siedepunkt	169 °C (lit.)
Dichte	0.95
Brechungsindex	1.4378 (estimate)
Flammpunkt	148 °F
storage temp.	Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit	Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)
Aggregatzustand	Crystalline Mass
pka	11.02±0.20(Predicted)
Farbe	White to light yellow
Wasserlöslichkeit	Soluble in water.
Sensitive	Air Sensitive & Hygroscopic
BRN	102711
CAS Datenbank	505-66-8(CAS DataBase Reference)
NIST chemische Informationen	Homopiperazine(505-66-8)
EPA chemische Informationen	1H-1,4-Diazepine, hexahydro- (505-66-8)

Sicherheit

Kennzeichnung gefährlicher	C,Xi
R-Sätze:	21-34
S-Sätze:	26-36/37/39-45-27
RIDADR	UN 3259 8/PG 2
WGK Germany	1
RTECS-Nr.	HM3850000
F	3-10-23
Hazard Note	Irritant/Corrosive
TSCA	Yes
HazardClass	8
PackingGroup	III
HS Code	29339900

Gefahreninformationscode (GHS)

Homopiperazine Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R21:Gesundheitsschädlich bei Berührung mit der Haut.
R34:Verursacht Verätzungen.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36/37/39:Bei der Arbeit geeignete Schutzkleidung,Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
S45:Bei Unfall oder Unwohlsein sofort Arzt zuziehen (wenn möglich, dieses Etikett vorzeigen).
S27:Beschmutzte, getränkte Kleidung sofort ausziehen.
Chemische Eigenschaften
white to light yellow crystalline mass
Verwenden
pharmaceutical intermediate
Verwenden
Homopiperazine is used to prepare 1,4-bis-(2-thiazolyl)-1,4-diazacycloheptane by reacting with 2-bromo-thiazole. It acts as an intermediate for repaglinide and fasudil hydrochloride. It is also used in the preparation of potent H3 receptor antagonists, which is used for the treatment of neurodegenerative conditions. Further, it is used in vesicant, cosmetic, emulsifier and energetic material. It acts as a corrosion inhibitor for iron. In pharmaceuticals, it is employed as antipyretic and reducing blood sugar, adiposity, calm, antipsychotic and anti-nervous.
structure and hydrogen bonding
The conformation of Homopiperazine is shown below, and the N–C–C–N torsion angle of 58.2(4)° confirms that the left-hand end of the molecule has an almost ideal chair-type conformation, which is only slightly distorted by the insertion of the extra atom at the right-hand end. The two nitrogen lone pairs are aligned in opposite directions, which facilitates the formation of a hydrogen-bonded network due to interaction with the NH of adjacent molecules. Crystal data for C5H12N2, M = 100.16 g mol^-¹, colorless prism, crystal dimensions 0.10 × 0.10 × 0.10 mm³, tetragonal, space group I–42d (No. 122), a = b = 7.208(2), c = 23.094(7) Å, α = β = γ = 90.00°, V = 1199.9(6) Å³, Z = 8, D_calc = 1.109 g cm^-3, T = 93 K, R1 = 0.0637, Rw2 = 0.1633 for 536 reflections with I > 2σ(I), and 37 variables, Rint 0.0374, goodness of fit on F² 1.137. Data have been deposited at the Cambridge Crystallographic Data Centre as CCDC 2049324[1].
Einzelnachweise
[1] R. Aitken, A. Slawin, Dheirya K. Sonecha. “Homopiperazine (Hexahydro-1,4-diazepine).” Molbank 2021 1 (2021): M1200.

Homopiperazine Upstream-Materialien And Downstream Produkte

Perhydro-1,4-diazepin Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

505-66-8, Homopiperazine Verwandte Suche:

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