1-(4-Fluorophenyl)-1,4-diazepane

Base Information

• Chemical Name: 1-(4-Fluorophenyl)-1,4-diazepane
• CAS No.: 751468-47-0
• Molecular Formula: C11H15FN2
• Molecular Weight: 194.252
• Hs Code.: 2933990090
• European Community (EC) Number: 815-587-6
• Nikkaji Number: J2.494.563D
• Mol file: 751468-47-0.mol

Synonyms:1-(4-fluorophenyl)-1,4-diazepane;751468-47-0;1-(4-fluorophenyl)homopiperazine;CHEMBRDG-BB 4010847;AMY277;SCHEMBL5237662;MFCD08059822;AKOS010180384;BP-11048;CS-0250527;EN300-51216

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

Chemical Property:

• Vapor Pressure: 0.000426mmHg at 25°C
• Boiling Point: 315.9°C at 760 mmHg
• Flash Point: 144.8°C
• PSA: 15.27000
• Density: 1.081g/cm³
• LogP: 2.01920
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 194.12192665
• Heavy Atom Count: 14
• Complexity: 167

Purity/Quality:

97% ^*data from raw suppliers

1-(4-Fluorophenyl)-1,4-diazepane 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 3 articles about 1-(4-Fluorophenyl)-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: 81.0%

4-(4-fluorophenyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester (263409-95-6) → 1-(4-fluorophenyl)-1,4-diazepane (751468-47-0)

Guidance literature:

4-(4-fluorophenyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester; With hydrogenchloride; In 1,4-dioxane; methanol; at 20 ℃; for 1h;

With potassium carbonate; In water;

DOI:10.1016/j.bmc.2013.01.071

Reference yield: 81.0%

→ 1-(4-fluorophenyl)-1,4-diazepane (751468-47-0)

Guidance literature:

Reference yield:

tert-butyl 1,4-diazepine-1-carboxylate (112275-50-0) → 1-(4-fluorophenyl)-1,4-diazepane (751468-47-0)

Guidance literature:

Multi-step reaction with 2 steps

1: copper(l) iodide; potassium phosphate / isopropyl alcohol / 10 h / 80 °C / Inert atmosphere

2: hydrogenchloride / 1,4-dioxane; methanol / 1 h / 20 °C

With hydrogenchloride; potassium phosphate; copper(l) iodide; In 1,4-dioxane; methanol; isopropyl alcohol;

DOI:10.1016/j.bmc.2013.01.071

upstream raw materials:

tert-butyl 1,4-diazepine-1-carboxylate

4-(4-fluorophenyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester

Downstream raw materials:

(Z)-2-cyano-3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]but-2-enethioamide

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 751468-47-0 CHEMBRDG-BB 4010847

Send

Send

Metric Ton KG G Pound L ML

Send

Send