1-Butanone, 1-(4-aminophenyl)-

Base Information

• Chemical Name: 1-Butanone, 1-(4-aminophenyl)-
• CAS No.: 1688-71-7
• Molecular Formula: C10H13 N O
• Molecular Weight: 163.219
• Hs Code.: 2922399090
• European Community (EC) Number: 670-494-6
• DSSTox Substance ID: DTXSID4061884
• Nikkaji Number: J421.587G
• Wikidata: Q81989729
• Mol file: 1688-71-7.mol

Synonyms:4'-Aminobutyrophenone;1688-71-7;1-(4-aminophenyl)butan-1-one;1-Butanone, 1-(4-aminophenyl)-;p-Aminobutyrophenone;1-(4-Aminophenyl)-1-butanone;BUTYROPHENONE, 4'-AMINO-;BRN 2084800;4-14-00-00166 (Beilstein Handbook Reference);SCHEMBL2677865;DTXSID4061884;1-(4-aminophenyl)-butan-1-one;1-Butanone,1-(4-aminophenyl)-;1-(4-amino-phenyl)-butan-1-one;1-(4-Aminophenyl)-1-butanone #;MFCD00017114;AKOS009158786;FS-4840;LS-48277;CS-0206020;FT-0676451

Chemical Property of 1-Butanone, 1-(4-aminophenyl)-

Chemical Property:

• Melting Point: 94 °C
• Refractive Index: 1.5400 (estimate)
• Boiling Point: 318°Cat760mmHg
• PKA: 2.17±0.10(Predicted)
• Flash Point: 146.1°C
• PSA: 43.09000
• Density: 1.044g/cm³
• LogP: 2.83280
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 163.099714038
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

98%min ^*data from raw suppliers

4-Aminobutyrophenone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Butanone, 1-(4-aminophenyl)-

There total 13 articles about 1-Butanone, 1-(4-aminophenyl)- 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: 87.0%

tributyl-amine (102-82-9) + p-aminoiodobenzene (540-37-4) → 1-(4-aminophenyl)butan-1-one (1688-71-7)

Guidance literature:

With dichloro bis(acetonitrile) palladium(II); tetrabutylammomium bromide; water; zinc(II) oxide; In dimethyl sulfoxide; at 100 ℃; for 20h;

DOI:10.1021/ol200404z

Reference yield: 70.0%

1-(4-hydroxyphenyl)-butan-1-one (1009-11-6) → 1-(4-aminophenyl)butan-1-one (1688-71-7)

Guidance literature:

With potassium carbonate; potassium iodide; Chloroacetamide; In N,N-dimethyl-formamide; at 90 - 150 ℃; for 4h;

DOI:10.1016/j.tetlet.2013.06.022

Reference yield: 62.0%

→ 1-(4-aminophenyl)butan-1-one (1688-71-7)

Guidance literature:

With potassium carbonate; potassium iodide; Chloroacetamide; In N,N-dimethyl-formamide; at 90 - 150 ℃; for 5h;

upstream raw materials:

N-(4-butyrylphenyl)acetamide

1-(4-nitrophenyl)butan-1-one

N-phenylbutyramide

Acetanilid

Downstream raw materials:

4-((6-(-2-(dimethylamino)-1-(1H-imidazol-1-yl)butyl)benzo[d]thiazol-2-yl)amino)benzoic acid

methyl 4-((6-(-2-(dimethylamino)-1-(1H-imidazol-1-yl)butyl)benzo[d]thiazol-2-yl)amino)benzoate

isopropyl 3-(((6-(-2-(dimethylamino)-1-(1H-imidazol-1-yl)butyl)benzo[d]thiazol-2-yl)amino)methyl)benzoate

ethyl 3-(((6-(2-(dimethylamino)-1-(1H-imidazol-1-yl)butyl)benzo[d]thiazol-2-yl)amino)methyl)benzoate

Refernces

• 1、 -. "Preparation of aniline derivatives". Paragraph 0087-0092. . Retrieved 2016/10/08.
• 2、 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.