Methyl 2-bromo-5-(trifluoromethoxy)benzoate

Base Information

• Chemical Name: Methyl 2-bromo-5-(trifluoromethoxy)benzoate
• CAS No.: 1150114-81-0
• Molecular Formula: C9H6BrF3O3
• Molecular Weight: 299.0413496
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID10448979
• Nikkaji Number: J2.879.178J
• Wikidata: Q82268230
• Mol file: 1150114-81-0.mol

Synonyms:Methyl 2-bromo-5-(trifluoromethoxy)benzoate;1150114-81-0;METHYL2-BROMO-5-(TRIFLUOROMETHOXY)BENZOATE;SCHEMBL20594585;Benzoic acid, 2-bromo-5-(trifluoromethoxy)-, methyl ester;DTXSID10448979;IETHWZNVMZUZKC-UHFFFAOYSA-N;MFCD12025999;AKOS015834892;CS-16027;CS-0084359;EN300-1693850;A858073;2-Bromo-5-(trifluoromethoxy)benzoic acid methyl ester

Chemical Property of Methyl 2-bromo-5-(trifluoromethoxy)benzoate

Chemical Property:

• Boiling Point: 255.2±35.0 °C(Predicted)
• PSA: 35.53000
• Density: 1.626±0.06 g/cm3(Predicted)
• LogP: 3.13430
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 297.94524
• Heavy Atom Count: 16
• Complexity: 257

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-bromo-5-(trifluoromethoxy)benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=CC(=C1)OC(F)(F)F)Br
• Uses: Methyl 2-bromo-5-(trifluoromethoxy)benzoate

Technology Process of Methyl 2-bromo-5-(trifluoromethoxy)benzoate

There total 2 articles about Methyl 2-bromo-5-(trifluoromethoxy)benzoate 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:

2-amino-5-trifluoromethoxy-benzoic acid methyl ester → methyl 2-bromo-5-(trifluoromethoxy)benzoate (1150114-81-0)

Guidance literature:

2-amino-5-trifluoromethoxy-benzoic acid methyl ester; With hydrogen bromide; sodium nitrite; In water; at 0 ℃; for 0.5h;

With copper(I) bromide; In water;

Reference yield:

2-amino-5-(trifluoromethoxy)benzoic acid (83265-56-9) → methyl 2-bromo-5-(trifluoromethoxy)benzoate (1150114-81-0)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 20 °C

2: hydrogen bromide; NaNO₂ / water monomer / 0.5 h / 0 °C

With hydrogen bromide; potassium carbonate; NaNO₂; In water monomer; N,N-dimethyl-formamide;

Reference yield: 84.0%

methyl 2-bromo-5-(trifluoromethoxy)benzoate (1150114-81-0) + 4,4,5,5-tetramethyl-2-[(1E)-prop-1-en-1-yl]-1,3,2-dioxaborolane (83947-58-4) → methyl (E)-2-(prop-1-en-1-yl)-5-(trifluoromethoxy)benzoate

Guidance literature:

With potassium phosphate; chloro(2-dicyclohexylphosphino-2’,4’,6’-triisopropyl-1,1‘-biphenyl)[2-(2’-amino-1,1‘-biphenyl’)]palladium(II); In tetrahydrofuran; water; at 45 ℃; for 19h; Inert atmosphere; Sealed tube;

DOI:10.1021/jacs.6b09499

upstream raw materials:

2-amino-5-(trifluoromethoxy)benzoic acid

Downstream raw materials:

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

methyl 2-methyl-5-(trifluoromethoxy)benzoate

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

✦Write with AI

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 1150114-81-0 Methyl2-bromo-5-(trifluoromethoxy)benzoate

Send

Send

Metric Ton KG G Pound L ML

Send

Send