2-Methoxy-5-(trifluoromethyl)benzyl bromide

Base Information

• Chemical Name: 2-Methoxy-5-(trifluoromethyl)benzyl bromide
• CAS No.: 685126-88-9
• Molecular Formula: C9H8BrF3O
• Molecular Weight: 269.061
• Hs Code.: 2909309090
• European Community (EC) Number: 679-165-1
• DSSTox Substance ID: DTXSID10590700
• Wikidata: Q82484337
• Mol file: 685126-88-9.mol

Synonyms:2-Methoxy-5-(trifluoromethyl)benzyl bromide;685126-88-9;2-(Bromomethyl)-1-methoxy-4-(trifluoromethyl)benzene;MFCD06660318;SCHEMBL40098;DTXSID10590700;AKOS015956481;JS-4492;2-methoxy-5-trifluoromethyl benzylbromide;DA-17938;SY228260;2-Methoxy-5-(trifluoromethyl)benzylbromide;EN300-1934257;2-Methoxy-5-(trifluoromethyl)benzyl bromide, AldrichCPR

Chemical Property of 2-Methoxy-5-(trifluoromethyl)benzyl bromide

Chemical Property:

• Melting Point: 34-37℃
• PSA: 9.23000
• LogP: 3.60890
• Water Solubility.: Insoluble in water.
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 267.97106
• Heavy Atom Count: 14
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

2-Methoxy-5-(trifluoromethyl)benzyl bromide ^*data from reagent suppliers

Safty Information:

• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C(F)(F)F)CBr
• Uses: Mostly existing as pharmaceutical and agrochemical products.

Technology Process of 2-Methoxy-5-(trifluoromethyl)benzyl bromide

There total 1 articles about 2-Methoxy-5-(trifluoromethyl)benzyl bromide 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: 87.0%

(2-methoxy-5-(trifluoromethyl)phenyl)methanol (685126-89-0) → 2-(bromomethyl)-1-methoxy-4-(trifluoromethyl)benzene (685126-88-9)

Guidance literature:

With phosphorus tribromide; In toluene; at 0 - 20 ℃;

Reference yield: 90.0%

2-(bromomethyl)-1-methoxy-4-(trifluoromethyl)benzene (685126-88-9) + (2S,3R,4S,5S)-ethyl 3-(tert-butyl)-4-hydroxy-1-((1R,3R)-3-methoxycyclohexanecarbonyl)-5-phenylpyrrolidine-2-carboxylate → (2S,3R,4S,5S)-ethyl 3-(tert-butyl)-4-((2-methoxy-5-(trifluoromethyl)benzyl)oxy)-1-((1R,3R)-3-methoxycyclohexanecarbonyl)-5-phenylpyrrolidine-2-carboxylate

Guidance literature:

With potassium tert-butylate; for 0.533333h;

Reference yield: 82.0%

2-(bromomethyl)-1-methoxy-4-(trifluoromethyl)benzene (685126-88-9) + ethyl 3-(4-hydroxy-3-methylphenyl)propanoate (140841-05-0) → ethyl 3-[3-methyl-4-({[2-(methyloxy)-5-(trifluoromethyl)phenyl]methyl}oxy)phenyl]propanoate

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 65 ℃;

DOI:10.1016/j.bmcl.2017.01.034

upstream raw materials:

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

Downstream raw materials:

C₂₃H₂₂F₃N₃O₃

C₂₅H₂₄F₃N₃O₃

(2-methoxy-5-(trifluoromethyl)phenyl)methanamine

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