1-BENZYL-1,4-DIAZEPANE

Base Information

• Chemical Name: 1-BENZYL-1,4-DIAZEPANE
• CAS No.: 4410-12-2
• Molecular Formula: C12H18N2
• Molecular Weight: 190.288
• Hs Code.: 29339900
• Mol file: 4410-12-2.mol

Synonyms:1H-1,4-Diazepine,hexahydro-1-(phenylmethyl)-;1H-1,4-Diazepine,1-benzylhexahydro- (7CI,8CI);1-Benzyl[1,4]diazepane;1-Benzylhexahydro-1,4-diazepine;1-Benzylhomopiperazine;N-Benzylhomopiperazine;NSC 179501;NSC 21234;

Chemical Property of 1-BENZYL-1,4-DIAZEPANE

Chemical Property:

• Appearance/Colour: colorless liquid.
• Vapor Pressure: 0.00263mmHg at 25°C
• Melting Point: 54-56 °C
• Refractive Index: n20/D 1.547
• Boiling Point: 286.465 °C at 760 mmHg
• PKA: 10.59±0.20(Predicted)
• Flash Point: 116.22 °C
• PSA: 15.27000
• Density: 1.004 g/cm³
• LogP: 1.74860
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Sensitive.: Air Sensitive

Purity/Quality:

99% ^*data from raw suppliers

1-Benzyl-1,4-diazepane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of 1-BENZYL-1,4-DIAZEPANE

There total 4 articles about 1-BENZYL-1,4-DIAZEPANE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1,4-Diazacycloheptane (505-66-8) + homopiperazine dihydrochloride (5769-36-8,55370-54-2) + benzyl chloride (100-44-7) → 1-benzyl-[1,4]diazepane (4410-12-2)

Guidance literature:

With sodium hydroxide; In ethanol;

Reference yield:

ethyl 4-benzylhomopiperazine-1-carboxylate → 1-benzyl-[1,4]diazepane (4410-12-2)

Guidance literature:

With sodium hydroxide; sodium chloride; hydrogen bromide;

Reference yield:

1-benzyl-1,4-diazepan-5-one (55186-89-5) → 1-benzyl-[1,4]diazepane (4410-12-2)

Guidance literature:

With tetrahydrofuran; lithium aluminium tetrahydride;

DOI:10.1021/jo01377a001

upstream raw materials:

1-benzyl-1,4-diazepan-5-one

1,4-Diazacycloheptane

homopiperazine dihydrochloride

benzyl chloride

Downstream raw materials:

1-benzyl-4-<<4-(methylamino)phenyl>sulfonyl>homopiperazine

(E)-N-methyl-N-[4-(4-benzyl-1-homopiperazinyl)sulfonylphenyl]-3-(4-methylsulfonylphenyl)-2-propenamide

C₁₆H₂₄N₂O₂

C₂₂H₂₄N₄O