2-Amino-1-(3-fluorophenyl)ethanone hydrochloride

Base Information

• Chemical Name: 2-Amino-1-(3-fluorophenyl)ethanone hydrochloride
• CAS No.: 93102-97-7
• Molecular Formula: C8H8 F N O . Cl H
• Molecular Weight: 189.61
• Hs Code.: 2922399090
• European Community (EC) Number: 815-721-3
• DSSTox Substance ID: DTXSID40535008
• Mol file: 93102-97-7.mol

Synonyms:93102-97-7;2-amino-1-(3-fluorophenyl)ethanone hydrochloride;3-Fluorophenacylamine hydrochloride;3-Fluorophenacylamine, HCl;2-amino-1-(3-fluorophenyl)ethanone;hydrochloride;2-Amino-1-(3-fluorophenyl)ethan-1-one hydrochloride;MFCD08532459;3-Fluorophenacylamine hydrochloride 95%;2-Amino-1-(3-fluorophenyl)ethanone HCl;2-Amino-3'-fluoroacetophenone hydrochloride;3-Fluorophenacylamine HCl;SCHEMBL25204880;DTXSID40535008;AMY27943;AKOS016002875;PS-8405;2-Amino-3'-fluoroacetophenone hydrochloride, 2-Amino-1-(3-fluorophenyl)ethan-1-one hydrochloride;SY354555;CS-0434956;F79500;EN300-1478701;2-azanyl-1-(3-fluorophenyl)ethanone hydrochloride;A844444;Z3025863838;2-Amino-1-(3-fluorophenyl)ethan-1-one--hydrogen chloride (1/1)

Chemical Property of 2-Amino-1-(3-fluorophenyl)ethanone hydrochloride

Chemical Property:

• Vapor Pressure: 0.00157mmHg at 25°C
• Melting Point: 201-204
• Boiling Point: 290.4°Cat760mmHg
• Flash Point: 129.4°C
• PSA: 43.09000
• Density: g/cm³
• LogP: 2.46940
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 189.0356698
• Heavy Atom Count: 12
• Complexity: 149

Purity/Quality:

97% ^*data from raw suppliers

2-Amino-1-(3-fluorophenyl)ethanoneHydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)F)C(=O)CN.Cl

Technology Process of 2-Amino-1-(3-fluorophenyl)ethanone hydrochloride

There total 2 articles about 2-Amino-1-(3-fluorophenyl)ethanone hydrochloride 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%

5-(3-Fluoro-phenyl)-oxazole-4-carboxylic acid methyl ester (89204-89-7) → 2-amino-1-(3-fluorophenyl)ethanone hydrochloride (93102-97-7)

Guidance literature:

With hydrogenchloride;

DOI:10.1248/cpb.32.2536

Reference yield:

2-azido-1-(3'-fluorophenyl)ethanone (848902-19-2) → 2-amino-1-(3-fluorophenyl)ethanone hydrochloride (93102-97-7)

Guidance literature:

2-azido-1-(3'-fluorophenyl)ethanone; With palladium 10% on activated carbon; hydrogen; In methanol; for 4h; under 1471.14 Torr;

With hydrogenchloride; In 1,4-dioxane; water;

DOI:10.1016/j.ejmech.2009.11.036

Reference yield: 87.0%

phenyl isothiocyanate (103-72-0) + 2-amino-1-(3-fluorophenyl)ethanone hydrochloride (93102-97-7) → 5-(3-fluorophenyl)-N-phenyloxazol-2-amine

Guidance literature:

With tetra-(n-butyl)ammonium iodide; triethylamine; In methanol; acetonitrile; at 0 ℃; for 5h; Electrolysis;

DOI:10.1021/acs.orglett.0c04218

upstream raw materials:

5-(3-Fluoro-phenyl)-oxazole-4-carboxylic acid methyl ester

2-azido-1-(3'-fluorophenyl)ethanone

Downstream raw materials:

4-(3-Fluoro-phenyl)-1H-imidazole-2-thiol

2-amino-N-[2-(3-fluorophenyl)-2-oxoethyl]benzamide