2-Bromo-5-(trifluoromethyl)benzaldehyde

Base Information

• Chemical Name: 2-Bromo-5-(trifluoromethyl)benzaldehyde
• CAS No.: 102684-91-3
• Molecular Formula: C8H4OBrF3
• Molecular Weight: 253.018
• Hs Code.: 2913000090
• European Community (EC) Number: 672-156-3,642-531-6
• DSSTox Substance ID: DTXSID00907984
• Nikkaji Number: J2.713.577C
• Wikidata: Q72513358
• Mol file: 102684-91-3.mol

Synonyms:2-Bromo-5-(trifluoromethyl)benzaldehyde;102684-91-3;875664-28-1;2-bromo-5-trifluoromethylbenzaldehyde;Benzaldehyde, 2-bromo-5-(trifluoromethyl)-;MFCD04973760;4-Bromo-3-formylbenzotrifluoride;SCHEMBL138245;DTXSID00907984;bromo 5-trifluoromethyl benzaldehyde;BBL101220;CL8259;STL555016;2-bromo-5-trifluoromethyl benzaldehyde;AKOS005063830;2-bromo-5-(trifluoromethy)benzaldehyde;2-Bromo-5-trifluoromethyl-benzaldehyde;AB21419;AC-2296;CS-W007492;DS-0448;PS-7449;2-bromo-5-(trifiuoromethyl)benzaldehyde;SY014638;2-bromanyl-5-(trifluoromethyl)benzaldehyde;AM20020106;B4508;FT-0601376;FT-0651178;EN300-174491;A842265;2-Bromo-5-(trifluoromethyl)benzaldehyde, AldrichCPR;J-508328;Z1269176199;N-[(5S)-3-(3-Fluoro-4-trimethylstannanylphenyl)-2-oxo-oxazolidin-5-ylmethyl]acetamide

Chemical Property of 2-Bromo-5-(trifluoromethyl)benzaldehyde

Chemical Property:

• Vapor Pressure: 0.0408mmHg at 25°C
• Refractive Index: 1.517
• Boiling Point: 239.1 °C at 760 mmHg
• Flash Point: 98.4 °C
• PSA: 17.07000
• Density: 1.677 g/cm³
• LogP: 3.28040
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Air Sensitive
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 251.93976
• Heavy Atom Count: 13
• Complexity: 192

Purity/Quality:

98% ^*data from raw suppliers

2-Bromo-5-(trifluoromethyl)benzaldehyde ^*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=C1C(F)(F)F)C=O)Br

Technology Process of 2-Bromo-5-(trifluoromethyl)benzaldehyde

There total 5 articles about 2-Bromo-5-(trifluoromethyl)benzaldehyde 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: 99.0%

(2-bromo-5-(trifluoromethyl)phenyl)methanol (869725-53-1) → 2-bromo-5-(trifluoromethyl)benzaldehyde (102684-91-3)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1021/ja201249c

Reference yield: 82.0%

2-bromo-5-trifluoromethylbenzonitrile (1483-55-2) → 2-bromo-5-(trifluoromethyl)benzaldehyde (102684-91-3)

Guidance literature:

With diisobutylaluminium hydride; In hexane; dichloromethane; for 0.5h; Ambient temperature;

DOI:10.1021/jm00158a021

Reference yield: 75.0%

p-trifluoromethylphenyl bromide (402-43-7) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-bromo-5-(trifluoromethyl)benzaldehyde (102684-91-3)

Guidance literature:

p-trifluoromethylphenyl bromide; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h; Inert atmosphere;

N,N-dimethyl-formamide; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 1.08333h; Inert atmosphere;

DOI:10.1021/ja511236d

upstream raw materials:

2-bromo-5-trifluoromethylbenzonitrile

(2-bromo-5-(trifluoromethyl)phenyl)methanol

p-trifluoromethylphenyl bromide

N,N-dimethyl-formamide

Downstream raw materials:

ethyl 3-(2-bromo-5-(trifluoromethyl)phenyl)propanoate

(+)-(1R,3'R,4'S_.6'R)-6'-(2-(tert-butyldiphenylsilyloxy)ethyl)-7-(trifluoromethyl)-4'-(triisopropylsilyloxy)-3',4',5',6'-tetrahydro-3H-spiro[benzo[c]oxepine-1,2'-pyran]-3'-ol

(-)-2-(2-(2-((2R,4S)-2-(tert-butyldiphenylsilyloxy)ethyl)-4-(triisopropylsilyloxy)-3,4-dihydro-2H-pyran-6-yl)-5-(trifluoromethyl)phenyl)ethanol

(-)-3-(2-((2R,4S)-2-(2-(tert-butyldiphenylsilyloxy)ethyl)-4-(triisopropylsilyloxy)-3,4-dihydro-2H-pyran-6-yl)-5-(trifluoromethyl)phenyl)propan-1-ol