4'-Aminohexanophenone

Base Information

• Chemical Name: 4'-Aminohexanophenone
• CAS No.: 38237-76-2
• Molecular Formula: C12H17NO
• Molecular Weight: 191.273
• Hs Code.: 2922399090
• European Community (EC) Number: 677-116-9
• DSSTox Substance ID: DTXSID40191628
• Nikkaji Number: J54.008K
• Wikidata: Q83064183
• Mol file: 38237-76-2.mol

Synonyms:4-aminohexanoylphenone;para-aminohexanoylphenone

Chemical Property of 4'-Aminohexanophenone

Chemical Property:

• Vapor Pressure: 6.65E-05mmHg at 25°C
• Melting Point: 85oC
• Refractive Index: 1.5220 (estimate)
• Boiling Point: 344.3°C at 760 mmHg
• Flash Point: 162°C
• PSA: 43.09000
• Density: 1.01g/cm³
• LogP: 3.61300
• Solubility.: soluble in Methanol
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 191.131014166
• Heavy Atom Count: 14
• Complexity: 171

Purity/Quality:

98%,99%, ^*data from raw suppliers

4''-Aminohexanophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)C1=CC=C(C=C1)N

Technology Process of 4'-Aminohexanophenone

There total 9 articles about 4'-Aminohexanophenone 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: 91.0%

4-(hex-1-ynyl)benzenamine → 1-(4-aminophenyl)-hexan-1-one (38237-76-2)

Guidance literature:

With toluene-4-sulfonic acid; In ethanol; at 120 ℃; for 0.5h; microwave irradiation;

DOI:10.1016/j.tetlet.2006.05.155

Reference yield: 74.0%

→ 1-(4-aminophenyl)-hexan-1-one (38237-76-2)

Guidance literature:

With water monomer; trifluoromethane sulfonic acid silver salt; In chlorobenzene; at 100 ℃; for 44h; Sealed tube; Inert atmosphere;

Reference yield:

(4-nitrophenyl)ethanone (100-19-6) + butan-1-ol (71-36-3) → 1-(4-aminophenyl)-hexan-1-one (38237-76-2) + p-aminobenzophenone (99-92-3)

Guidance literature:

With sodium hydroxide; at 120 ℃; for 24h;

DOI:10.1016/j.tetlet.2013.08.123

upstream raw materials:

1-(4-chlorophenyl)hexan-1-one

acetic acid-(4-hexanoyl-anilide)

Hexanoyl chloride

Acetanilid

Downstream raw materials:

N-(4-hexanoyl-phenyl)-N'-methyl-thiourea

Refernces

• 1、 Németh, János,Kiss, árpád,Hell, Zoltán. "Palladium-catalysed transfer hydrogenation of aromatic nitro compounds - An unusual chain elongation". . p. 6094 - 6096. Retrieved 2013/10/22.
• 2、 Jacubert, Maud,Provot, Olivier,Peyrat, Jean-Fran?ois,Hamze, Abdallah,Brion, Jean-Daniel,Alami, Mouad. "p-Toluenesulfonic acid-promoted selective functionalization of unsymmetrical arylalkynes: a regioselective access to various arylketones and heterocycles". experimental part. p. 3775 - 3787. Retrieved 2010/07/04.