4-Cyclohexylaniline

Base Information

• Chemical Name: 4-Cyclohexylaniline
• CAS No.: 6373-50-8
• Molecular Formula: C12H17N
• Molecular Weight: 175.274
• Hs Code.: 2921420090
• European Community (EC) Number: 228-918-9
• DSSTox Substance ID: DTXSID60213154
• Nikkaji Number: J111.190F
• Wikidata: Q72459860
• ChEMBL ID: CHEMBL4780820
• Mol file: 6373-50-8.mol

Synonyms:4-cyclohexylaniline;4-cyclohexylphenylamine

Chemical Property of 4-Cyclohexylaniline

Chemical Property:

• Melting Point: 53 °C
• Refractive Index: 1.716
• Boiling Point: 301.2 °C at 760 mmHg
• PKA: 4.96±0.10(Predicted)
• Flash Point: 129.9 °C
• PSA: 26.02000
• Density: 1.013g/cm³
• LogP: 3.89770
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Water Solubility.: Insoluble in water.
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 175.136099547
• Heavy Atom Count: 13
• Complexity: 141

Purity/Quality:

97% ^*data from raw suppliers

4-Cyclohexylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Hazard Codes: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C2=CC=C(C=C2)N
• Uses: 4-Cyclohexylaniline is used as a starting material for the preparation of 1-cyclohexyl-4-nitroso-benzene. It is used as a reactant in nucleophilic acylation to form N-(4-cyclohexylphenyl)acetamide by reacting with acetyl halides. It is also involved in the synthesis of N-(4-cyclohexylphenyl)-2-morpholino-acetamide by reaction with 2-morpholinoacetyl fluoride. Further, it reacts with 4-bromo-4-oxo-butanoic acid to get 4-[(4-cyclohexylphenyl)amino]-4-oxo-butanoic acid.

Technology Process of 4-Cyclohexylaniline

There total 28 articles about 4-Cyclohexylaniline 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: 99.0%

4-(cyclohex-1-enyl)phenylamine (1747-75-7) → p-cyclohexylaniline (6373-50-8)

Guidance literature:

4-(cyclohex-1-enyl)phenylamine; With lithium triethylborohydride; cobalt(II) bromide; In tetrahydrofuran; Inert atmosphere; Glovebox;

With hydrogen; In tetrahydrofuran; at 20 ℃; for 24h; under 1500.15 Torr;

DOI:10.1002/chem.201705366

Reference yield: 92.0%

4-bromo(cyclohexyl)benzene (25109-28-8) → p-cyclohexylaniline (6373-50-8)

Guidance literature:

With ?di-tert-butyl(2,2-diphenyl-1-methyl-1-cyclopropyl)phosphine; bis(η3-allyl-μ-chloropalladium(II)); lithium bis(hexamethyldisilazide); In toluene; at -20 - 120 ℃; for 2h; Inert atmosphere;

Reference yield: 75.0%

1-(4'-Cyclohexyl-phenyl)-1-hydroxy-ethane (29030-52-2) → p-cyclohexylaniline (6373-50-8)

Guidance literature:

With sodium azide; methanesulfonic acid; trifluoroacetic acid; In hexane; at 40 ℃; for 4h; Sealed tube;

DOI:10.1038/s41557-018-0156-y

upstream raw materials:

4-(cyclohex-1-enyl)phenylamine

4-cyclohexylnitrobenzene

N-(4-cyclohexylphenyl)acetamide

1-cyclohex-3-enyl-4-nitro-benzene

Downstream raw materials:

4-cyclohexylphenyl isocyanate

1,4-bis-(4-cyclohexyl-anilino)-anthraquinone

1-chloro-4-cyclohexylbenzene

4-bromo(cyclohexyl)benzene