1-(Benzyloxy)-4-(trifluoromethyl)benzene

Base Information

• Chemical Name: 1-(Benzyloxy)-4-(trifluoromethyl)benzene
• CAS No.: 70097-65-3
• Molecular Formula: C14H11F3O
• Molecular Weight: 252.236
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID60383982
• Nikkaji Number: J1.566.951I
• Wikidata: Q82175842
• Mol file: 70097-65-3.mol

Synonyms:70097-65-3;1-(benzyloxy)-4-(trifluoromethyl)benzene;4-Benzyloxybenzotrifluoride;4-(benzyloxy)benzotrifluoride;1-phenylmethoxy-4-(trifluoromethyl)benzene;1-Benzyloxy-4-trifluoromethyl-benzene;1-benzyloxy-4-(trifluoromethyl)benzene;Maybridge1_001022;4(benzyloxy)benzotrifluoride;SCHEMBL255002;HMS544G10;DTXSID60383982;COKLNAWONZJNAI-UHFFFAOYSA-N;HAVWWLZNBMFZJG-UHFFFAOYSA-N;4-trifluoromethylphenyl benzyl ether;AMY28838;1-benzyloxy-4-trifluoromethylbenzene;CCG-53310;MFCD00275905;AKOS015888959;PS-7457;CS-0204919;E89444;4-(Benzyloxy)-alpha,alpha,alpha-trifluorotoluene;1-[(Phenylmethyl)oxy]-4-(trifluoromethyl)benzene;SR-01000642480-1

Chemical Property of 1-(Benzyloxy)-4-(trifluoromethyl)benzene

Chemical Property:

• Storage Temp.: 2-8°C
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 252.07619946
• Heavy Atom Count: 18
• Complexity: 238

Purity/Quality:

97% ^*data from raw suppliers

4-Benzyloxybenzotrifluoride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)C(F)(F)F

Technology Process of 1-(Benzyloxy)-4-(trifluoromethyl)benzene

There total 30 articles about 1-(Benzyloxy)-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: 100.0%

4-(4-benzyloxyphenyl) iodide (19578-68-8) + (trifluoromethyl)trimethylsilane (81290-20-2) → 1-(benzyloxy)-4-(trifluoromethyl)benzene (70097-65-3)

Guidance literature:

(trifluoromethyl)trimethylsilane; With 1,10-Phenanthroline; potassium tert-butylate; copper(l) chloride; In N,N-dimethyl-formamide; at 20 ℃; for 1.5h; Inert atmosphere;

4-(4-benzyloxyphenyl) iodide; In N,N-dimethyl-formamide; at 50 ℃; for 24h; Product distribution / selectivity; Inert atmosphere;

Reference yield: 95.0%

4-hydroxybenzotrifluoride (402-45-9) + benzyl bromide (100-39-0) → 1-(benzyloxy)-4-(trifluoromethyl)benzene (70097-65-3)

Guidance literature:

With potassium carbonate; In acetone; for 3h; Heating / reflux;

Reference yield: 93.0%

potassium (4-(benzyloxy)phenyl)trifluoroborate + Langlois reagent (2926-29-6) → 1-(benzyloxy)-4-(trifluoromethyl)benzene (70097-65-3)

Guidance literature:

With tert.-butylhydroperoxide; copper(l) chloride; In methanol; dichloromethane; water; at 0 - 20 ℃; for 12h;

DOI:10.1021/jo4023233

upstream raw materials:

4-hydroxybenzotrifluoride

benzyl chloride

benzyl bromide

4-chlorobenzotrifluoride

Downstream raw materials:

4-hydroxybenzotrifluoride

toluene

[2-(phenylmethoxy)-5-(trifluoromethyl)phenyl]-boronic acid