1-(4-Bromophenyl)butan-1-amine

Base Information

• Chemical Name: 1-(4-Bromophenyl)butan-1-amine
• CAS No.: 146781-56-8
• Molecular Formula: C10H14BrN
• Molecular Weight: 228.12886
• European Community (EC) Number: 893-020-1
• Mol file: 146781-56-8.mol

Synonyms:1-(4-bromophenyl)butan-1-amine;146781-56-8;Benzenemethanamine, 4-bromo-alpha-propyl-;SCHEMBL9789908;AKOS000169416;AKOS022272750;DB-311024

Chemical Property of 1-(4-Bromophenyl)butan-1-amine

Chemical Property:

• Boiling Point: 117-118 °C(Press: 4 Torr)
• PKA: 9.09±0.10(Predicted)
• PSA: 26.02000
• Density: 1.297±0.06 g/cm3(Predicted)
• LogP: 3.94930
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 227.03096
• Heavy Atom Count: 12
• Complexity: 119

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-α-propyl-benzenemethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C1=CC=C(C=C1)Br)N

Technology Process of 1-(4-Bromophenyl)butan-1-amine

There total 1 articles about 1-(4-Bromophenyl)butan-1-amine 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-bromophenyl)-1-butanone (4981-64-0) → p-Brom-α-propyl-benzylamin (146781-56-8)

Guidance literature:

Multistep reaction; (i) HCO₂NH₄, (heating), (ii) aq. HCl;

Reference yield:

nickel(II) chloride hexahydrate + p-Brom-α-propyl-benzylamin (146781-56-8) + potassium thioacyanate (333-20-0) → Ni(SCN)2 * 2 p-BrC6H4CH(C3H7)NH2

Guidance literature:

In chloroform; addn. of CHCl3 to aq. soln. of NiCl2*6H2O (0.2 mol) and KSCN (0.4 mol), addn. of soln. of p-BrC6H4CH(C3H7)NH2 (0.45 mol) in CHCl3 to 2-phase-mixt. with stirring, stirring for 15 min;; pptn., washing with mixt. of CHCl3 and H2O and drying in vac. at ambient temp.;;

Reference yield:

nickel(II) chloride hexahydrate + p-Brom-α-propyl-benzylamin (146781-56-8) + potassium thioacyanate (333-20-0) → Ni(SCN)2 * 4 p-BrC6H4CH(C3H7)NH2

Guidance literature:

In n-heptane; addn. of heptane to aq. soln. of NiCl2*6H2O (0.2 mol) and KSCN (0.4 mol), addn. of soln. of p-BrC6H4CH(C3H7)NH2 (0.9 mol) in heptane to 2-phase-mixt. with stirring, stirring for 15 min;; pptn., washing with mixt. of heptane and H2O and drying in vac. at ambient temp.;;

upstream raw materials:

1-(4-bromophenyl)-1-butanone