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

Base Information

• Chemical Name: 2-Bromo-1-methoxy-4-(trifluoromethyl)benzene
• CAS No.: 402-10-8
• Molecular Formula: C8H6BrF3O
• Molecular Weight: 255.034
• Hs Code.: 2909309090
• European Community (EC) Number: 641-156-5
• DSSTox Substance ID: DTXSID80373709
• Wikidata: Q82162012
• Mol file: 402-10-8.mol

Synonyms:2-bromo-1-methoxy-4-(trifluoromethyl)benzene;402-10-8;3-Bromo-4-methoxybenzotrifluoride;2-bromo-4-(trifluoromethyl)anisole;2-Methoxy-5-(trifluoromethyl)bromobenzene;2-Bromo-1-methoxy-4-trifluoromethylbenzene;Benzene, 2-bromo-1-methoxy-4-(trifluoromethyl)-;SCHEMBL1094342;DTXSID80373709;MFCD03789249;3-Bromo-4-methoxybenzotrifluoride2-Methoxy-5-trifluoromethyl bromobenzene;AKOS015956520;AB16111;s11381;TS-00815;2-bromo-1-methoxy-4-trifluoromethyl-benzene;CS-0103375;3-bromo-4-methoxybenzotrifluoride, AldrichCPR;A824981;3-Bromo-4-methoxybenzotrifluoride2-Methoxy-5-trifluoromethylbromobenzene

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

Chemical Property:

• Vapor Pressure: 0.317mmHg at 25°C
• Refractive Index: 1.4960
• Boiling Point: 207.9oC at 760 mmHg
• Flash Point: 97.6oC
• PSA: 9.23000
• Density: 1.563g/cm3
• LogP: 3.47650
• 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:

98%min ^*data from raw suppliers

3-Bromo-4-methoxybenzotrifluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 3 articles about 2-Bromo-1-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: 86.0%

methyl 4-(trifluoromethyl)phenyl ether (402-52-8) → 2-bromo-1-methoxy-4-(trifluoromethyl)benzene (402-10-8)

Guidance literature:

With bromine; sodium acetate; acetic acid; at 40 ℃; for 24h;

DOI:10.1021/acs.organomet.8b00617

Reference yield:

4-hydroxybenzotrifluoride (402-45-9) → 2-bromo-1-methoxy-4-(trifluoromethyl)benzene (402-10-8)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / acetone / 24 h / Heating

2: 2.77 g / bromine; sodium acetate / acetic acid / 24 h / 20 °C

With bromine; sodium acetate; potassium carbonate; In acetic acid; acetone;

DOI:10.1016/j.tet.2007.08.001

Reference yield:

2-Methoxy-5-trifluoromethyl-aniline (349-65-5) → 2-bromo-1-methoxy-4-(trifluoromethyl)benzene (402-10-8)

Guidance literature:

With hydrogen bromide; sodium nitrite; anschliessendes Erhitzen mit CuBr;

DOI:10.1021/ja01132a017

upstream raw materials:

2-Methoxy-5-trifluoromethyl-aniline

methyl 4-(trifluoromethyl)phenyl ether

4-hydroxybenzotrifluoride

Downstream raw materials:

methyl 2-methoxy-5-(trifluoromethyl)benzoate

(3R,5R,6S,7S)-7-(Benzyloxymethyl)-6-(4-fluorophenyl)-3-(-2-methoxy-5-(trifluoromethyl)phenyl)-1-oxaspiro[4.4]nonane

Refernces

• 1、 Iwanaga, Kohei,Kobayashi, Junji,Kawashima, Takayuki. "Study on the electronic effect on coordinating donors in heptacoordinate trichlorogermanes". . p. 10127 - 10132. Retrieved 2008/02/13.