1-(Bromomethyl)-3-chloro-5-(trifluoromethyl)benzene

Base Information

• Chemical Name: 1-(Bromomethyl)-3-chloro-5-(trifluoromethyl)benzene
• CAS No.: 886496-91-9
• Molecular Formula: C8H5BrClF3
• Molecular Weight: 273.48
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID60395409
• Wikidata: Q82195488
• Mol file: 886496-91-9.mol

Synonyms:1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene;886496-91-9;3-Chloro-5-(trifluoromethyl)benzyl bromide;MFCD04115849;SCHEMBL1229494;DTXSID60395409;BBL101570;STL555366;AKOS005259677;PS-9943;3-chloro-5-trifluoromethylbenzyl bromide;D94705;1-bromomethyl-3-chloro-5-trifluoromethyl-benzene;EN300-1932633;A818280;A861621;1-(bromomethyl)-3-chloranyl-5-(trifluoromethyl)benzene

Chemical Property of 1-(Bromomethyl)-3-chloro-5-(trifluoromethyl)benzene

Chemical Property:

• PSA: 0.00000
• LogP: 4.25370
• Storage Temp.: 2-8°C
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 271.92152
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-5-(trifluoromethyl)benzyl bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1C(F)(F)F)Cl)CBr
• Uses: API. As pharmaceuticals, they find applications in antibiotics, as sedatives, and for cancer treatment. Used frequently in organic synthesis. Find application as propellants.

Technology Process of 1-(Bromomethyl)-3-chloro-5-(trifluoromethyl)benzene

There total 1 articles about 1-(Bromomethyl)-3-chloro-5-(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: 92.0%

(3-chloro-5-(trifluoromethyl)phenyl)methanol (886496-87-3) → 3-chloro-5-(trifluoromethyl)benzyl bromide (886496-91-9)

Guidance literature:

With N-Bromosuccinimide; triphenylphosphine; In tetrahydrofuran; at 0 - 20 ℃; for 16h;

Reference yield: 73.0%

3-chloro-5-(trifluoromethyl)benzyl bromide (886496-91-9) + (2S,3S,5R)-2-benzyl-3-(5-bromo-pyrimidin-2-ylamino)-5-ethyl-pyrrolidine-1-carboxylic acid isopropyl ester (1160064-35-6) → (2S,3S,5R)-2-benzyl-3-[(5-bromo-pyrimidin-2-yl)-(3-chloro-5-trifluoromethyl-benzyl)-amino]-5-ethyl-pyrrolidine-1-carboxylic acid isopropyl ester (1160064-34-5)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 3.83h;

Reference yield: 73.0%

rac-tert-butyl (2S,4S,6R)-2-benzyl-4-((5-bromopyrimidin-2-yl)-amino)-6-ethylpiperidine-1-carboxylate + 3-chloro-5-(trifluoromethyl)benzyl bromide (886496-91-9) → rac-tert-butyl (2S,4S,6R)-2-benzyl-4-((5-bromopyrimidin-2-yl)(3-chloro-5-(trifluoromethyl)benzyl)amino)-6-ethylpiperidine-1-carboxylate

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 - 20 ℃; for 4h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.7b00900

upstream raw materials:

(3-chloro-5-(trifluoromethyl)phenyl)methanol

Downstream raw materials:

tert-butyl 4-((3-chloro-5-(trifluoromethyl)benzyloxy)methyl)-4-phenylpiperidine-1-carboxylate

(2S,3S,5R)-2-benzyl-3-[(5-bromo-pyrimidin-2-yl)-(3-chloro-5-trifluoromethyl-benzyl)-amino]-5-ethyl-pyrrolidine-1-carboxylic acid isopropyl ester

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