Product

1-Boc-hexahydro-1,4-diazepine

CAS No.：112275-50-0

Other grades of this product :

1-Boc-hexahydro-1,4-diazepine Basic information

Product Name:	1-Boc-hexahydro-1,4-diazepine
Synonyms:	[1,4]DIAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;1-BOC-HEXAHYDRO-1,4-DIAZEPINE;1-BOC-HOMOPIPERAZINE;1-BOC-1,4-DIAZEPANE;TERT-BUTYL HOMOPIPERAZINE-1-CARBOXYLATE;TERT-BUTYL 1,4-DIAZEPANE-1-CARBOXYLATE;TERT-BUTYL 1-HOMOPIPERAZINECARBOXYLATE;N-(T-BUTYLOXYCARBONYL)-HOMOPIPERAZINE
CAS:	112275-50-0
MF:	C10H20N2O2
MW:	200.28
EINECS:	628-955-4
Product Categories:	API intermediates;Piperidines, Piperidones, Piperazines;Heterocycles series;Piperaizine
Mol File:	112275-50-0.mol

1-Boc-hexahydro-1,4-diazepine Chemical Properties

Melting point	143.4 °C
Boiling point	95-110 °C0.5 mm Hg(lit.)
density	1.016 g/mL at 20 °C(lit.)
refractive index	n20/D 1.471(lit.)
Fp	>230 °F
storage temp.	Keep in dark place,Sealed in dry,Room Temperature
pka	10.45±0.20(Predicted)
form	Liquid
Specific Gravity	1.016
color	Colorless to yellow
Water Solubility	Not miscible or difficult to mix in water.
Sensitive	Air Sensitive
BRN	7581789
CAS DataBase Reference	112275-50-0(CAS DataBase Reference)

Safety Information

Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	26-36
RIDADR	2735
WGK Germany	3
F	10-34
Hazard Note	Irritant
HazardClass	IRRITANT, KEEP COLD
HazardClass	8
HS Code	29339900

MSDS Information

Provider	Language
SigmaAldrich	English
ALFA	English

1-Boc-hexahydro-1,4-diazepine Usage And Synthesis

Chemical Properties	Colorless to yellow liquid
Uses	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.
Uses	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.
General Description	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.
Precautions	Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Store under inert gas. It is sensitive to air.
References	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.

1-Boc-hexahydro-1,4-diazepine Preparation Products And Raw materials

Raw materials

Ethanol-->Sodium hydroxide-->Hydrochloric acid-->Ethyl acetate-->Methanol-->Diethyl ether-->Sulfuric acid-->Acetic acid-->Sodium-->Toluene-->Potassium carbonate-->Chloroform-->Sodium sulfate-->Magnesium sulfate-->Potassium hydroxide-->Acetone-->Sodium bicarbonate-->Hydrogen bromide-->Di-tert-butyl dicarbonate-->1-Butanol-->Sodium acetate-->Phenol-->Tosyl chloride-->Ethylenediamine-->Homopiperazine-->tert-Butyl methyl ether-->Sulfurous Acid-->Tetrabutylammonium fluoride-->1,3-Dibromopropane-->Benzhydrylamine-->Benzyltriethylammonium bromide-->N,N'-Bis(ethylene)-p-Toluenesulfonamide-->t-butyl chloroformate

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