3,6-Dibromo-2-fluorobenzaldehyde

Base Information

• Chemical Name: 3,6-Dibromo-2-fluorobenzaldehyde
• CAS No.: 870703-68-7
• Molecular Formula: C₇H₃Br₂FO
• Molecular Weight: 281.907
• Hs Code.: 2913000090
• European Community (EC) Number: 624-662-0
• DSSTox Substance ID: DTXSID60584659
• Nikkaji Number: J3.302.820B
• Wikidata: Q82476343
• Mol file: 870703-68-7.mol

Synonyms:3,6-Dibromo-2-fluorobenzaldehyde;870703-68-7;MFCD08276775;SCHEMBL1418396;DTXSID60584659;IWLKVQWSDXDHAW-UHFFFAOYSA-N;3,6-Dibromo-2-fluorobenzaldehyde, 97%;BS-42253;SY066929;CS-0146397;A862913

Chemical Property of 3,6-Dibromo-2-fluorobenzaldehyde

Chemical Property:

• Vapor Pressure: 0.00463mmHg at 25°C
• Boiling Point: 277.0±35.0 °C(Predicted)
• Density: 2.047±0.06 g/cm3(Predicted)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 281.85142
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

97% ^*data from raw suppliers

3,6-Dibromo-2-fluorobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1Br)C=O)F)Br

Technology Process of 3,6-Dibromo-2-fluorobenzaldehyde

There total 1 articles about 3,6-Dibromo-2-fluorobenzaldehyde 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: 73.0%

2,5-dibromofluorobenzene (1435-52-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 3,6-dibromo-2-fluorobenzaldehyde (870703-68-7)

Guidance literature:

With n-butyllithium; thymidine 5'-phosphate; In tetrahydrofuran; diethyl ether; at -78 ℃;

DOI:10.1016/j.tet.2005.04.051

Reference yield: 99.0%

3,6-dibromo-2-fluorobenzaldehyde (870703-68-7) + trimethyl orthoformate (149-73-5) → 1,4-dibromo-2-(dimethoxymethyl)-3-fluorobenzene (861928-18-9)

Guidance literature:

With sulfuric acid; In methanol; at 60 ℃; for 1h;

DOI:10.1016/j.tet.2005.04.051

Reference yield: 98.0%

3,6-dibromo-2-fluorobenzaldehyde (870703-68-7) + methylmagnesium bromide (75-16-1) → 1-(3,6-dibromo-2-fluorophenyl)ethan-1-one

Guidance literature:

3,6-dibromo-2-fluorobenzaldehyde; methylmagnesium bromide; In tetrahydrofuran; at -78 - -20 ℃; for 3h; Inert atmosphere;

With tetrapropylammonium perruthennate; 4-methylmorpholine N-oxide; In acetonitrile; at 20 ℃; for 2h;

DOI:10.1016/j.bmcl.2019.03.021

upstream raw materials:

2,5-dibromofluorobenzene

N,N-dimethyl-formamide

Downstream raw materials:

1,4-dibromo-2-(dimethoxymethyl)-3-fluorobenzene

4-bromobenzo[b]thiophene

3,6-dibromo-2-(t-butylsulfanyl)(ethynyl)benzene

4,7-bis{4-[5-hexyl-2-(triisopropylsilylethynyl)-3-thienyl]phenyl}-2-methylbenzo[b]thiophene

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