1-(4-(Aminomethyl)phenyl)ethanone

Base Information

• Chemical Name: 1-(4-(Aminomethyl)phenyl)ethanone
• CAS No.: 87171-25-3
• Molecular Formula: C9H11 N O
• Molecular Weight: 149.192
• Hs Code.: 2922399090
• DSSTox Substance ID: DTXSID80498183
• Wikidata: Q82348079
• Mol file: 87171-25-3.mol

Synonyms:1-(4-(Aminomethyl)phenyl)ethanone;87171-25-3;1-[4-(aminomethyl)phenyl]ethan-1-one;1-[4-(aminomethyl)phenyl]ethanone;1-(4-(aminomethyl)phenyl)ethan-1-one;ETHANONE, 1-[4-(AMINOMETHYL)PHENYL]-;SCHEMBL856509;DTXSID80498183;AKOS006279166;D87575;EN300-243175

Chemical Property of 1-(4-(Aminomethyl)phenyl)ethanone

Chemical Property:

• PSA: 43.09000
• LogP: 2.04820
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 149.084063974
• Heavy Atom Count: 11
• Complexity: 137

Purity/Quality:

1-(4-(Aminomethyl)phenyl)ethanone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(C=C1)CN
• Uses: 1-[4-(Aminomethyl)phenyl]ethanone Hydrochloride is used in the structure-?function studies of substrate oxidation by bovine serum amine oxidase.

Technology Process of 1-(4-(Aminomethyl)phenyl)ethanone

There total 5 articles about 1-(4-(Aminomethyl)phenyl)ethanone 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:

4-cyanophenyl methyl ketone (1443-80-7) → 1-[4-(aminomethyl)phenyl]ethan-1-one (87171-25-3)

Guidance literature:

With triethyl borane; (bis(mesitylbenzimidazol-2-ylidene)phenyl)Co(pyridine); potassium tert-butylate; hydrogen; In toluene; at 115 ℃; for 8h; under 3040.2 Torr;

DOI:10.1021/jacs.7b07368

Reference yield:

4-ethylbenzylamine (7441-43-2) → 1-[4-(aminomethyl)phenyl]-1-ethanol (214759-42-9) + 1-[4-(aminomethyl)phenyl]ethan-1-one (87171-25-3)

Guidance literature:

With dipotassium peroxodisulfate; sulfuric acid; In water; at 80 ℃; for 2h; Reagent/catalyst; Solvent; Sealed tube;

DOI:10.1021/acs.orglett.6b03731

Reference yield:

C17H15NO4 → 1-[4-(aminomethyl)phenyl]ethan-1-one (87171-25-3)

Guidance literature:

With ethylenediamine; In 1,4-dioxane; propan-1-ol; water; for 24h; Reflux;

DOI:10.1021/ol301037s

upstream raw materials:

para-chloroacetophenone

4-ethylbenzylamine

4-cyanophenyl methyl ketone

Downstream raw materials:

1-{4-[(6-Amino-5-nitro-pyridin-2-ylamino)-methyl]-phenyl}-ethanone

N-(4-acetylbenzyl)benzamide

4-ethylbenzylamine