1-(4-Fluorobenzyl)-1,4-diazepane

Base Information

• Chemical Name: 1-(4-Fluorobenzyl)-1,4-diazepane
• CAS No.: 76141-89-4
• Molecular Formula: C₁₂H₁₇FN₂
• Molecular Weight: 208.279
• Hs Code.: 29339900
• DSSTox Substance ID: DTXSID70379033
• Wikidata: Q82168690
• Mol file: 76141-89-4.mol

Synonyms:1-(4-fluorobenzyl)-1,4-diazepane;76141-89-4;1-(4-Fluorobenzyl)homopiperazine;1-[(4-fluorophenyl)methyl]-1,4-diazepane;1-(4-Fluoro-benzyl)-[1,4]diazepane;1-(4-fluorobenzyl)homopiperazinedihydrochloride;SDCCGMLS-0065832.P001;SCHEMBL2003768;DTXSID70379033;KZCHYFUMQQWGJK-UHFFFAOYSA-N;MFCD00816588;1-(4-fluorobenzyl)-[1,4]diazepane;AKOS000264518;FS-3450;CS-0124350;FT-0605707;EN300-25332;D95556;1-(4-Fluorobenzyl)-1,4-diazepane, AldrichCPR;A865548;J-503295;Z203055904

Chemical Property of 1-(4-Fluorobenzyl)-1,4-diazepane

Chemical Property:

• Vapor Pressure: 0.00192mmHg at 25°C
• Melting Point: 208-209 °C
• Refractive Index: 1.522
• Boiling Point: 291.7 °C at 760 mmHg
• PKA: 10.55±0.20(Predicted)
• Flash Point: 130.2 °C
• PSA: 15.27000
• Density: 1.074 g/cm³
• LogP: 1.88770
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 208.13757671
• Heavy Atom Count: 15
• Complexity: 179

Purity/Quality:

97% ^*data from raw suppliers

1-(4-fluorobenzyl)-1,4-diazepane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C,Xn
• Statements: 36/37/38-52-22-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCCN(C1)CC2=CC=C(C=C2)F

Technology Process of 1-(4-Fluorobenzyl)-1,4-diazepane

There total 2 articles about 1-(4-Fluorobenzyl)-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: 88.0%

tert-butyl 4-(4-fluorobenzyl)-1,4-diazepane-1-carboxylate (1190967-30-6) → N-(4-fluorobenzyl)homopiperazine (76141-89-4)

Guidance literature:

With trifluoroacetic acid; In toluene; for 1h; Inert atmosphere;

DOI:10.1021/jm900553j

Reference yield: 77.0%

1,4-Diazacycloheptane (505-66-8) + 4-fluorobenzaldehyde (459-57-4) → N-(4-fluorobenzyl)homopiperazine (76141-89-4)

Guidance literature:

1,4-Diazacycloheptane; 4-fluorobenzaldehyde; With acetic acid; In dichloromethane; at 20 ℃; for 0.5h;

With sodium tris(acetoxy)borohydride; In dichloromethane; at 20 ℃; for 6h;

DOI:10.1016/j.bmc.2014.12.052

Reference yield: 46.0%

1-acetyl-N-(3-chloro-4-methylphenyl)-N-(3-oxopropyl)piperidine-4-carboxamide + N-(4-fluorobenzyl)homopiperazine (76141-89-4) → 1-acetyl-N-(3-chloro-4-methylphenyl)-N-(3-(4-(4-fluorobenzyl)-1,4-diazepan-1-yl)propyl)piperidine-4-carboxamide

Guidance literature:

1-acetyl-N-(3-chloro-4-methylphenyl)-N-(3-oxopropyl)piperidine-4-carboxamide; N-(4-fluorobenzyl)homopiperazine; With acetic acid; In dichloromethane; at 20 ℃; for 0.5h;

With sodium tris(acetoxy)borohydride; In dichloromethane; at 20 ℃; for 6h;

DOI:10.1016/j.bmc.2014.12.052

upstream raw materials:

tert-butyl 4-(4-fluorobenzyl)-1,4-diazepane-1-carboxylate

1,4-Diazacycloheptane

4-fluorobenzaldehyde

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 76141-89-4 1-(4-FLUOROBENZYL)-1,4-DIAZEPANE

Send

Send

Metric Ton KG G Pound L ML

Send

Send