4-Bromo-2,3,6-trifluorobenzaldehyde

Base Information

• Chemical Name: 4-Bromo-2,3,6-trifluorobenzaldehyde
• CAS No.: 537033-56-0
• Molecular Formula: C7H2BrF3O
• Molecular Weight: 238.991
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID10378444
• Wikidata: Q82167942
• Mol file: 537033-56-0.mol

Synonyms:4-bromo-2,3,6-trifluorobenzaldehyde;537033-56-0;SCHEMBL1591447;DTXSID10378444;MFCD03094468;AKOS022171811;CS-W022090;AS-33048;EN300-6508227;4-Bromo-2,3,6-trifluorobenzaldehyde, AldrichCPR;A856530

Chemical Property of 4-Bromo-2,3,6-trifluorobenzaldehyde

Chemical Property:

• Boiling Point: 229.2±40.0 °C(Predicted)
• Density: 1.839±0.06 g/cm3(Predicted)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 237.92411
• Heavy Atom Count: 12
• Complexity: 178

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-2,3,6-trifluorobenzaldehyde 98% ^*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(=C1Br)F)F)C=O)F

Technology Process of 4-Bromo-2,3,6-trifluorobenzaldehyde

There total 2 articles about 4-Bromo-2,3,6-trifluorobenzaldehyde 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: 79.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 1-bromo-2,3,5-trifluoro-benzene (133739-70-5) → 2,3,5-trifluoro-4-formyl-bromobenzene (537033-56-0)

Guidance literature:

1-bromo-2,3,5-trifluoro-benzene; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 0.5h; Inert atmosphere;

N,N-dimethyl-formamide; In tetrahydrofuran; at -78 - 20 ℃; for 1.25h; Inert atmosphere;

Reference yield:

N-Formylpiperidine (2591-86-8) + 1-bromo-2,3,5-trifluoro-benzene (133739-70-5) → 2,3,5-trifluoro-4-formyl-bromobenzene (537033-56-0)

Guidance literature:

1-bromo-2,3,5-trifluoro-benzene; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 1h;

N-Formylpiperidine; In tetrahydrofuran; at -78 ℃; for 2h;

Reference yield: 60.0%

4-cyclopropyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one hydrochloride (1375107-47-3) + 2,3,5-trifluoro-4-formyl-bromobenzene (537033-56-0) → 9-[(4-bromo-2,3,6-trifluorophenyl)methyl]-4-cyclopropyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (1429790-83-9)

Guidance literature:

4-cyclopropyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one hydrochloride; With triethylamine; In dichloromethane; at 20 ℃; for 0.5h;

2,3,5-trifluoro-4-formyl-bromobenzene; With sodium tris(acetoxy)borohydride; acetic acid; In dichloromethane; at 20 ℃; for 2h;

upstream raw materials:

N-Formylpiperidine

1-bromo-2,3,5-trifluoro-benzene

N,N-dimethyl-formamide

Downstream raw materials:

9-[(4-bromo-2,3,6-trifluorophenyl)methyl]-4-cyclopropyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one