6-Methoxy-1-methyl-1-trifluoromethylisochroman

Base Information

Chemical Name:6-Methoxy-1-methyl-1-trifluoromethylisochroman
CAS No.:225526-40-9
Molecular Formula:C₁₂H₁₃F₃O₂
Molecular Weight:246.229
Hs Code.:
DSSTox Substance ID:DTXSID70436933

Synonyms:6-Methoxy-1-methyl-1-trifluoromethylisochroman;225526-40-9;6-methoxy-1-methyl-1-trifluoromethyl-isochroman;SCHEMBL6400531;DTXSID70436933;6-methoxy-1-methyl-1trifluoromethylisochroman

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 6-Methoxy-1-methyl-1-trifluoromethylisochroman

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:246.08676414
Heavy Atom Count:17
Complexity:279

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1(C2=C(CCO1)C=C(C=C2)OC)C(F)(F)F

Technology Process of 6-Methoxy-1-methyl-1-trifluoromethylisochroman

There total 4 articles about 6-Methoxy-1-methyl-1-trifluoromethylisochroman 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: 77.0%

: 421-50-1
1,1,1-trifluoro-2-propanone

: 75534-19-9
2-(2-bromo-5-methoxyphenyl)ethyl chloride

: 225526-40-9
6-methoxy-1-methyl-1-trifluoromethyl-isochroman

: 73004-96-3
1-(2-chloroethyl)-3-methoxybenzene

Guidance literature:: 2-(2-bromo-5-methoxyphenyl)ethyl chloride; With n-butyllithium; In tetrahydrofuran; hexane; at -93 ℃; for 2h;

1,1,1-trifluoro-2-propanone; In tetrahydrofuran; hexane; at -70 - 20 ℃; Further stages.;
DOI:10.1016/j.bmc.2008.06.047

Reference yield:

: 637036-77-2
3,4-dimethoxybenzoic acid 2-(2-acetyl-5-methoxyphenyl)ethyl ester

: 225526-40-9
6-methoxy-1-methyl-1-trifluoromethyl-isochroman

: 3,4-dimethoxybenzoic acid t-butyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: C₁₉H₂₈NO₂⁽¹⁺⁾ / dichloromethane / 3 h / -50 - 20 °C

2: tetrahydrofuran / 0 - 20 °C

With C₁₉H₂₈NO₂⁽¹⁺⁾; In tetrahydrofuran; dichloromethane;
DOI:10.1021/op7001886

Reference yield:

: 3,4-dimethoxybenzoic acid 2-(3-methoxyphenyl)ethyl ester

: 225526-40-9
6-methoxy-1-methyl-1-trifluoromethyl-isochroman

: 3,4-dimethoxybenzoic acid t-butyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: titanium tetrachloride / dichloromethane / 2 h / 0 °C

2: C₁₉H₂₈NO₂⁽¹⁺⁾ / dichloromethane / 3 h / -50 - 20 °C

3: tetrahydrofuran / 0 - 20 °C

With C₁₉H₂₈NO₂⁽¹⁺⁾; titanium tetrachloride; In tetrahydrofuran; dichloromethane; 1: |Friedel-Crafts Acylation;
DOI:10.1021/op7001886