1-(4-Bromophenyl)cyclobutanamine

Base Information

• Chemical Name: 1-(4-Bromophenyl)cyclobutanamine
• CAS No.: 1094218-30-0
• Molecular Formula: C10H12BrN
• Molecular Weight: 226.116
• Hs Code.: 2921499090
• European Community (EC) Number: 845-953-0
• DSSTox Substance ID: DTXSID70655566
• Wikidata: Q82569751
• Mol file: 1094218-30-0.mol

Synonyms:1-(4-BROMOPHENYL)CYCLOBUTANAMINE;1094218-30-0;1-(4-bromophenyl)cyclobutan-1-amine;MFCD09910041;SCHEMBL255382;DTXSID70655566;AKOS009321777;SB80088;SY180392;CS-0441035;FT-0689691;EN300-57336;A927365

Chemical Property of 1-(4-Bromophenyl)cyclobutanamine

Chemical Property:

• PSA: 26.02000
• LogP: 3.48730
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 225.01531
• Heavy Atom Count: 12
• Complexity: 157

Purity/Quality:

98%min ^*data from raw suppliers

1-(4-Bromophenyl)cyclobutanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C1)(C2=CC=C(C=C2)Br)N

Technology Process of 1-(4-Bromophenyl)cyclobutanamine

There total 5 articles about 1-(4-Bromophenyl)cyclobutanamine 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: 98.0%

tert-butyl (1-(4-bromophenyl)cyclobutyl)carbamate (1032350-06-3) → 1-(4-bromophenyl)cyclobutanamine (1094218-30-0)

Guidance literature:

With hydrogenchloride; In methanol; water; at 20 ℃; for 24h;

DOI:10.1016/j.tet.2016.02.060

Reference yield:

1-(4-bromophenyl)cyclobutanecarboxylic acid amide (1032350-05-2) → 1-(4-bromophenyl)cyclobutanamine (1094218-30-0)

Guidance literature:

With bis-[(trifluoroacetoxy)iodo]benzene; In water; acetonitrile; at 20 ℃; for 24h;

Reference yield:

Butyl 2-(4-bromophenyl)acetate (133017-10-4) → 1-(4-bromophenyl)cyclobutanamine (1094218-30-0)

Guidance literature:

Multi-step reaction with 4 steps

1: lithium hexamethyldisilazane / tetrahydrofuran / 0 - 20 °C

2: sodium hydroxide; water / methanol / 48 h / Reflux

3: triethylamine; diphenyl phosphoryl azide / 20 °C / Molecular sieve; Reflux

4: hydrogenchloride / methanol; water / 24 h / 20 °C

With hydrogenchloride; diphenyl phosphoryl azide; water; triethylamine; sodium hydroxide; lithium hexamethyldisilazane; In tetrahydrofuran; methanol; water; 3: |Curtius Rearrangement;

DOI:10.1016/j.tet.2016.02.060

upstream raw materials:

1-(4-bromophenyl)cyclobutanecarboxylic acid amide

Butyl 2-(4-bromophenyl)acetate

tert-butyl (1-(4-bromophenyl)cyclobutyl)carbamate

Downstream raw materials:

(1-(4-bromophenyl)cyclobutyl)methylcarbamic acid tert-butyl ester

C₃₀H₃₄BrClN₄OS

1-[4-(2-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]cyclobutylamine

Refernces

• 1、 -. "INHIBITORS OF AKT ACTIVITY". Page/Page column 185-186. . Retrieved 2010/10/03.