2,4-Dibromo-6-fluorobenzoic acid

Base Information

• Chemical Name: 2,4-Dibromo-6-fluorobenzoic acid
• CAS No.: 183065-69-2
• Molecular Formula: C7H3Br2FO2
• Molecular Weight: 297.906
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID50378807
• Nikkaji Number: J766.770A
• Wikidata: Q82168380
• Mol file: 183065-69-2.mol

Synonyms:2,4-dibromo-6-fluorobenzoic acid;183065-69-2;Benzoic acid, 2,4-dibromo-6-fluoro-;2,4-Dibromo-6-fluorobenzoicacid;SCHEMBL286849;DTXSID50378807;RAGHPDYPAYDOJH-UHFFFAOYSA-N;MFCD03094087;AKOS016005948;AB92885;CS-0195423;F18335;A880852

Chemical Property of 2,4-Dibromo-6-fluorobenzoic acid

Chemical Property:

• PSA: 37.30000
• LogP: 3.04890
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 297.84633
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

98% ^*data from raw suppliers

2,4-Dibromo-6-fluorobenzoic acid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1F)C(=O)O)Br)Br

Technology Process of 2,4-Dibromo-6-fluorobenzoic acid

There total 4 articles about 2,4-Dibromo-6-fluorobenzoic acid 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: 81.0%

carbon dioxide (124-38-9,18923-20-1) → 2,4-Dibromo-6-fluorobenzoic acid (183065-69-2)

Guidance literature:

1,3-dibromo-5-fluorobenzene; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 2h;

carbon dioxide; In tetrahydrofuran; at -78 - 20 ℃;

With hydrogenchloride; sodium hydroxide; more than 3 stages;

Reference yield:

carbon dioxide (124-38-9,18923-20-1) + 1,3-dibromo-5-fluorobenzene (1435-51-4) → 2,4-Dibromo-6-fluorobenzoic acid (183065-69-2)

Guidance literature:

With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; Yield given. Multistep reaction; 1.) THF, hexane, -75 deg C, 2 h, 2.) THF, hexane;

DOI:10.1016/0040-4039(96)01398-6

Reference yield:

carbon dioxide (124-38-9,18923-20-1) + 3-fluoro-1,2,5-tribromobenzene (2839-37-4) → C7H3Br2FO2 (1006593-91-4) + 2,4-Dibromo-6-fluorobenzoic acid (183065-69-2)

Guidance literature:

3-fluoro-1,2,5-tribromobenzene; With isopropylmagnesium chloride; In tetrahydrofuran; at -40 ℃; for 2h;

carbon dioxide; In tetrahydrofuran; at -40 ℃; for 1h; Further stages. Title compound not separated from byproducts.;

DOI:10.1016/j.tetlet.2007.11.124

upstream raw materials:

carbon dioxide

1,3-dibromo-5-fluorobenzene

3-fluoro-1,2,5-tribromobenzene

Downstream raw materials:

5-bromo-7-fluoro-2-benzofuran-1(3H)-one

C₇H₂Br₂ClFO

2-(Allylamino)-4,6-dibromobenzamide

Refernces

• 1、 -. "INHIBITORS OF STEAROYL-COA DESATURASE". . . Retrieved 2009/06/27.
• 2、 -. "Dihydroquinazolinones as 5HT modulators". Page/Page column 19-20. . Retrieved 2008/06/13.