5-Bromo-2-fluoro-4-methoxybenzaldehyde

Base Information

• Chemical Name: 5-Bromo-2-fluoro-4-methoxybenzaldehyde
• CAS No.: 473417-48-0
• Molecular Formula: C8H6BrFO2
• Molecular Weight: 233.037
• Hs Code.: 2913000090
• European Community (EC) Number: 867-572-9
• DSSTox Substance ID: DTXSID00479676
• Nikkaji Number: J2.196.132I
• Wikidata: Q82313821
• Mol file: 473417-48-0.mol

Synonyms:5-BROMO-2-FLUORO-4-METHOXYBENZALDEHYDE;473417-48-0;Benzaldehyde, 5-bromo-2-fluoro-4-methoxy-;SCHEMBL1048291;DTXSID00479676;MUHOGOFEMSTOPZ-UHFFFAOYSA-N;YTA41748;MFCD11847135;5-Bromo-2-fluoro-4-methoxy-benzaldehyde;BS-32465;CS-0167766;FT-0745491;D78772;EN300-155005;Z1269238964

Chemical Property of 5-Bromo-2-fluoro-4-methoxybenzaldehyde

Chemical Property:

• PSA: 26.30000
• LogP: 2.40930
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 231.95352
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

95% ^*data from raw suppliers

5-Bromo-2-fluoro-4-methoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C(=C1)F)C=O)Br

Technology Process of 5-Bromo-2-fluoro-4-methoxybenzaldehyde

There total 5 articles about 5-Bromo-2-fluoro-4-methoxybenzaldehyde 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: 95.0%

2-fluoro-4-methoxy-benzaldehyde (331-64-6) → 5-bromo-2-fluoro-4-methoxybenzaldehyde (473417-48-0)

Guidance literature:

With potassium bromide; bromine; In water; at 0 - 20 ℃; for 3h;

Reference yield: 82.0%

2,4-dibromo-5-fluoroanisole (861928-16-7) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 5-bromo-2-fluoro-4-methoxybenzaldehyde (473417-48-0)

Guidance literature:

2,4-dibromo-5-fluoroanisole; With n-butyllithium; In tetrahydrofuran; diethyl ether; at -78 ℃; for 0.25h;

N,N-dimethyl-formamide; In tetrahydrofuran; diethyl ether; at -78 ℃; for 0.25h;

DOI:10.1016/j.tet.2005.04.051

Reference yield:

Dichloromethyl methyl ether (4885-02-3) + 1-bromo-4-fluoro-2-methoxybenzene (450-88-4) → 5-bromo-2-fluoro-4-methoxybenzaldehyde (473417-48-0)

Guidance literature:

With titanium tetrachloride; In dichloromethane; at 20 ℃; for 4.5h;

upstream raw materials:

2,4-dibromo-5-fluoroanisole

N,N-dimethyl-formamide

2,5-dibromo-5-fluorophenol

2-bromo-5-fluorophenol

Downstream raw materials:

methyl 6-methoxy-1H-indazole-5-carboxylate

2-amino-8-bromo-7-methoxy-6-[2-methyl-5-N-(2-piperidino-5-trifluoromethylphenyl)carbamoylphenyl]quinazoline

2-amino-8-bromo-6-(5-N-{2-[N-(3-dimethylaminopropyl)-N-methylamino]-5-trifluoromethylphenyl}carbamoyl-2-methylphenyl)-7-methoxyquinazoline

2-amino-7-hydroxy-6-[2-methyl-5-(3-trifluoromethylbenzamide)phenyl]-8-(2-pyridyl)quinazoline

Refernces

• 1、 -. "ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE "RIG-I' PATHWAY AND METHODS OF USE THEREOF". Page/Page column 89. . Retrieved 2020/03/05.
• 2、 -. "STING AGONIST COMPOUNDS". Paragraph 0477-0479. . Retrieved 2019/10/23.