2-Fluorobenzamide

Base Information

• Chemical Name: 2-Fluorobenzamide
• CAS No.: 445-28-3
• Molecular Formula: C7H6FNO
• Molecular Weight: 139.129
• Hs Code.: 29242990
• European Community (EC) Number: 207-157-6
• UNII: HM4GB9599U
• DSSTox Substance ID: DTXSID4075407
• Nikkaji Number: J149.989K
• Wikidata: Q72479078
• ChEMBL ID: CHEMBL121910
• Mol file: 445-28-3.mol

Synonyms:2-fluorobenzamide

Chemical Property of 2-Fluorobenzamide

Chemical Property:

• Appearance/Colour: white crystalline powder
• Melting Point: 117-119 °C(lit.)
• Boiling Point: 238.4 °C at 760 mmHg
• PKA: 15.27±0.50(Predicted)
• Flash Point: 98 °C
• PSA: 43.09000
• Density: 1.238 g/cm³
• LogP: 1.62490
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 139.043341977
• Heavy Atom Count: 10
• Complexity: 138

Purity/Quality:

98% min ^*data from raw suppliers

2-Fluorobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Aromatics (Nitrogen)
• Canonical SMILES: C1=CC=C(C(=C1)C(=O)N)F

Technology Process of 2-Fluorobenzamide

There total 24 articles about 2-Fluorobenzamide 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%

2-fluorobenzonitrile (394-47-8) → 2-fluorobenzamide (445-28-3)

Guidance literature:

With indium(III) chloride; Acetaldehyde oxime; In toluene; for 5h; Reflux;

DOI:10.1016/j.tetlet.2010.01.063

Reference yield: 93.0%

2-fluoro-N-phenyl-N-tosylbenzamide → 2-fluorobenzamide (445-28-3)

Guidance literature:

With ammonium carbonate; In dimethyl sulfoxide; at 25 ℃; for 6h;

DOI:10.1021/acs.orglett.0c00958

Reference yield: 90.0%

2-Fluorobenzaldehyde (446-52-6) → 2-fluorobenzamide (445-28-3)

Guidance literature:

With hydroxylamine hydrochloride; C₂₁H₂₇ClIrNO; sodium hydrogencarbonate; In water; at 50 ℃; for 6h;

DOI:10.1021/acs.inorgchem.1c01530

upstream raw materials:

2-fluoro-benzoic acid ethyl ester

2-Fluorobenzoyl chloride

2-fluorobenzonitrile

urea

Downstream raw materials:

2-(4-Piperidinol-1-yl)-benzamid

2-(1,2,3,6-Tetrahydropyridin-1-yl)-benzamid

1-(2-fluorobenzoyl)-3-(4-chlorophenyl)urea

2-Fluoro-N-(3-hydroxy-1,3-dihydro-isobenzofuran-1-yl)-benzamide

Refernces

• 1、 Chen, Xuenian,Kang, Jia-Xin,Ma, Yan-Na,Miao, Yu-Qi. "Visible light-mediated synthesis of amides from carboxylic acids and amine-boranes". supporting information. p. 3595 - 3599. Retrieved 2021/06/06.
• 2、 Bains, Rohit,Das, Pralay,Kumar, Ajay,Ram, Shankar,Shaifali,Sheetal. "Supported palladium catalyzed aminocarbonylation of aryl iodides employing bench-stable CO and NH3surrogates". supporting information. p. 7193 - 7200. Retrieved 2020/10/02.