4-Bromo-2-fluorobenzamide

Base Information

• Chemical Name: 4-Bromo-2-fluorobenzamide
• CAS No.: 292621-45-5
• Molecular Formula: C7H5BrFNO
• Molecular Weight: 218.025
• Hs Code.: 2924299090
• European Community (EC) Number: 688-051-0
• DSSTox Substance ID: DTXSID90378381
• Wikidata: Q82167904
• ChEMBL ID: CHEMBL5021030
• Mol file: 292621-45-5.mol

Synonyms:4-Bromo-2-fluorobenzamide;292621-45-5;Benzamide, 4-bromo-2-fluoro-;4-bromo-2-fluoro-benzamide;Benzamide,4-bromo-2-fluoro-;SCHEMBL150293;CHEMBL5021030;DTXSID90378381;MJDRFCPNHLHNON-UHFFFAOYSA-N;BDBM395383;BCP14494;US10308636, Example 78;MFCD03094432;AKOS000190733;CS-T-49624;PS-7912;CS-0015688;FT-0746474;A876500

Chemical Property of 4-Bromo-2-fluorobenzamide

Chemical Property:

• Vapor Pressure: 0.0119mmHg at 25°C
• Melting Point: 151-153℃
• Refractive Index: 1.581
• Boiling Point: 261 °C at 760 mmHg
• PKA: 14.98±0.50(Predicted)
• Flash Point: 111.6 °C
• PSA: 44.08000
• Density: 1.696 g/cm³
• LogP: 2.57130
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: DMSO, Methanol
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 216.95385
• Heavy Atom Count: 11
• Complexity: 165

Purity/Quality:

99%+, ^*data from raw suppliers

4-Bromo-2-fluorobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)F)C(=O)N
• Uses: 4-Bromo-2-fluorobenzamide is used as a reagent to synthesize tricyclic dihydroquinazolinones, compounds that act as anti-obesity agents. 4-Bromo-2-fluorobenzamide is also used as a reagent to synthesize imidazole pyrimidine amides, compounds that act as cyclin-dependent kinase inhibitors.

Technology Process of 4-Bromo-2-fluorobenzamide

There total 4 articles about 4-Bromo-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: 98.0%

4-bromo-6-fluorobenzonitrile (105942-08-3) → 4-bromo-2-fluorobenzamide (292621-45-5)

Guidance literature:

With aluminum oxide; methanesulfonate; at 120 ℃; for 0.5h;

Reference yield:

2-fluoro-4-bromobenzoic acid (112704-79-7) → 4-bromo-2-fluorobenzamide (292621-45-5)

Guidance literature:

With ammonia;

DOI:10.1016/j.bmcl.2008.10.075

Reference yield:

ammonia (7664-41-7) + 2-fluoro-4-bromobenzoic acid (112704-79-7) → 4-bromo-2-fluorobenzamide (292621-45-5)

Guidance literature:

2-fluoro-4-bromobenzoic acid; With Chloro-oxo-acetic acid; In dichloromethane; N,N-dimethyl-formamide; at 0 - 20 ℃;

ammonia; In tetrahydrofuran; water; at 0 - 20 ℃;

upstream raw materials:

4-bromo-6-fluorobenzonitrile

2-fluoro-4-bromobenzoic acid

ammonia

Downstream raw materials:

2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

2-(4-carbamoyl-3-fluorophenylamino)-2-methylpropanoic acid

4-[6-[6-cyano-5-(trifluoromethyl)-3-pyridyl]-5-oxo-7-thioxo-6,8-diazaspiro[3.4]octan-8-yl]-2-fluorobenzamide

ARN-509

Refernces

• 1、 -. "TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE". . . Retrieved 2018/03/25.
• 2、 -. "AROMATIC HETEROCYCLIC COMPOUND". Paragraph 0883; 0884. . Retrieved 2015/05/05.