1-Boc-hexahydro-1,4-diazepine Struktur

1-Boc-hexahydro-1,4-diazepine

Bezeichnung:1-Boc-hexahydro-1,4-diazepine

CAS-Nr112275-50-0

Englisch Name:1-Boc-hexahydro-1,4-diazepine

CBNumberCB8230427

SummenformelC10H20N2O2

Molgewicht200.28

MOL-Datei112275-50-0.mol

1-Boc-hexahydro-1,4-diazepine physikalisch-chemischer Eigenschaften

Schmelzpunkt	143.4 °C
Siedepunkt	95-110 °C0.5 mm Hg(lit.)
Dichte	1.016 g/mL at 20 °C(lit.)
Brechungsindex	n20/D 1.471(lit.)
Flammpunkt	>230 °F
storage temp.	Keep in dark place,Sealed in dry,Room Temperature
pka	10.45±0.20(Predicted)
Aggregatzustand	Liquid
Wichte	1.016
Farbe	Colorless to yellow
Wasserlöslichkeit	Not miscible or difficult to mix in water.
Sensitive	Air Sensitive
BRN	7581789
CAS Datenbank	112275-50-0(CAS DataBase Reference)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	26-36
RIDADR	2735
WGK Germany	3
F	10-34
Hazard Note	Irritant
HazardClass	IRRITANT, KEEP COLD
HazardClass	8
HS Code	29339900

Gefahreninformationscode (GHS)

1-Boc-hexahydro-1,4-diazepine Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
Chemische Eigenschaften
Colorless to yellow liquid
Verwenden
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.
Verwenden
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.
Allgemeine Beschreibung
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.
Synthese
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%.
Vorsichtsmaßnahmen
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Store under inert gas. It is sensitive to air.
Einzelnachweise
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.

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