1-Bromo-2-methoxy-4-(trifluoromethyl)benzene

Base Information

• Chemical Name: 1-Bromo-2-methoxy-4-(trifluoromethyl)benzene
• CAS No.: 402-07-3
• Molecular Formula: C8H6BrF3O
• Molecular Weight: 255.034
• Hs Code.: 2909309090
• European Community (EC) Number: 800-480-9
• DSSTox Substance ID: DTXSID50407308
• Wikidata: Q72513345
• Mol file: 402-07-3.mol

Synonyms:402-07-3;1-bromo-2-methoxy-4-(trifluoromethyl)benzene;4-Bromo-3-methoxybenzotrifluoride;MFCD04115974;Benzene, 1-bromo-2-methoxy-4-(trifluoromethyl)-;SCHEMBL4350401;DTXSID50407308;AKOS015888482;2-Methoxy-4-trifluoromethylbromobenzene;AB20644;AM61518;CS-W012584;DS-1390;SY030044;2-BROMO-5-(TRIFLUOROMETHYL)ANISOLE;1-bromo-2-methoxy-4-trifluoromethyl-benzene;FT-0702930;EN300-1074299;A873418;J-514735

Chemical Property of 1-Bromo-2-methoxy-4-(trifluoromethyl)benzene

Chemical Property:

• Vapor Pressure: 0.134mmHg at 25°C
• Melting Point: 36.5 °C
• Boiling Point: 224.7°C at 760 mmHg
• Flash Point: 109°C
• PSA: 9.23000
• Density: 1.563g/cm³
• LogP: 3.47650
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 253.95541
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

99%, ^*data from raw suppliers

1-Bromo-2-methoxy-4-(trifluoromethyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Bromo-2-methoxy-4-(trifluoromethyl)benzene

There total 3 articles about 1-Bromo-2-methoxy-4-(trifluoromethyl)benzene 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: 94.0%

1-bromo-2-fluoro-4-(trifluoromethyl)benzene (40161-54-4) + sodium methylate (124-41-4) → 1-bromo-2-methoxy-4-(trifluoromethyl)benzene (402-07-3)

Guidance literature:

In tetrahydrofuran; for 16h; Inert atmosphere; Reflux; Schlenk technique;

DOI:10.1021/om400297x

Reference yield: 84.0%

2-bromo-5-(trifluoromethyl)phenol (402-05-1) + methyl iodide (74-88-4) → 1-bromo-2-methoxy-4-(trifluoromethyl)benzene (402-07-3)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; methanol; at 70 ℃; for 25h;

DOI:10.1002/anie.201703757

Reference yield:

2-bromo-5-(trifluoromethyl)phenol (402-05-1) + dimethyl sulfate (77-78-1) → 1-bromo-2-methoxy-4-(trifluoromethyl)benzene (402-07-3)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/ja01149a530

upstream raw materials:

2-bromo-5-(trifluoromethyl)phenol

dimethyl sulfate

1-bromo-2-fluoro-4-(trifluoromethyl)benzene

sodium methylate

Downstream raw materials:

5-(trifluoromethyl)-m-anisidine

2-methoxy-4-(trifluoromethyl)-benzoic acid

chloro-di(4-trifluoromethyl-2-methoxy-phenyl)phosphine

lithium-2-(di-(4-trifluormethyl-2-methoxy-phenyl)phosphine)benzenesulfonate

Refernces

• 1、 Wucher, Philipp,Goldbach, Verena,Mecking, Stefan. "Electronic influences in phosphinesulfonato palladium(II) polymerization catalysts". supporting information. p. 4516 - 4522. Retrieved 2013/09/23.