2-Aminoacetophenone

Base Information

• Chemical Name: 2-Aminoacetophenone
• CAS No.: 613-89-8
• Molecular Formula: C8H9 N O
• Molecular Weight: 135.166
• Hs Code.: 2922399090
• European Community (EC) Number: 210-358-1
• UNII: 4M571C83H7
• DSSTox Substance ID: DTXSID80210206
• Nikkaji Number: J11.349B
• Wikidata: Q27181279
• Metabolomics Workbench ID: 45666
• ChEMBL ID: CHEMBL128079
• Mol file: 613-89-8.mol

Synonyms:2-aminoacetophenone;2-aminoacetophenone hydrochloride;o-aminoacetophenone;ortho-aminoacetophenone

Chemical Property of 2-Aminoacetophenone

Chemical Property:

• Melting Point: 20°C
• Refractive Index: 1.6160 (estimate)
• Boiling Point: 247.3 °C at 760 mmHg
• PKA: 7.50±0.29(Predicted)
• Flash Point: 103.4 °C
• PSA: 43.09000
• Density: 1.084 g/cm3
• LogP: 1.52830
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 135.068413911
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

98% ^*data from raw suppliers

Phenacylamine 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)CN
• Uses: 2-Aminoacetophenone is a ketone organic compound, which can be used as a reagent for the detection of acetoacetic acid and also used in organic synthesis.

Technology Process of 2-Aminoacetophenone

There total 48 articles about 2-Aminoacetophenone 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: 94.0%

2-azido-1-phenylethan-1-one (1816-88-2) → 2-Aminoacetophenone (613-89-8)

Guidance literature:

With aluminium(III) iodide; In benzene; for 0.166667h; Heating;

Reference yield: 89.0%

1-(2-oxo-2-phenylethyl)-pyrrolidine-2,5-dione (24246-87-5) → 2-Aminoacetophenone (613-89-8)

Guidance literature:

With water; sodium hydroxide; In ethanol; for 18h; Reflux;

DOI:10.1016/j.cclet.2018.03.031

Reference yield: 86.0%

N-(dimethyl((1-phenylvinyl)oxy)silyl)-1,1,1-trimethyl-N-(trimethylsilyl)silanamine (1638623-31-0) → 2-Aminoacetophenone (613-89-8)

Guidance literature:

With [bis(acetoxy)iodo]benzene; In dichloromethane; at 25 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.201400405

upstream raw materials:

benzoyl cyanide

tetrachloromethane

glycylglycine ethyl ester

1,3-oxazolidine-2,5-dione

Downstream raw materials:

2-amino-3-cyano-4-phenylpyrrole

4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine

N-(3-cyano-4-phenyl-1H-pyrrol-2-yl)-formamidine

(-)-(S)-N-(α-ethylbenzyl)-3-amino-2-phenylquinoline-4-carboxamide

Refernces

• 1、 Wei, Ting,Zeng, Yongming,He, Wei,Geng, Lili,Hong, Liang. "A facile transformation of alkynes into α-amino ketones by an N-bromosuccinimide-mediated one-pot strategy". . p. 383 - 385. Retrieved 2018/04/11.
• 2、 -. "NOVEL COMPOUND, AGENT AND NK3 RECEPTOR ANTAGONIST". Paragraph 0072; 0073. . Retrieved 2017/08/02.