2,2,2-Trifluoro-1,1-bis(4-methoxyphenyl)ethanol

Base Information

• Chemical Name: 2,2,2-Trifluoro-1,1-bis(4-methoxyphenyl)ethanol
• CAS No.: 379-21-5
• Molecular Formula: C16H15 F3 O3
• Molecular Weight: 312.289
• Hs Code.: 2909499000
• DSSTox Substance ID: DTXSID90375310
• Nikkaji Number: J754.006J
• Wikidata: Q82163844
• Mol file: 379-21-5.mol

Synonyms:2,2,2-trifluoro-1,1-bis(4-methoxyphenyl)ethanol;379-21-5;alpha-trifluoromethyl-4,4'-bis(methoxy)benzhydrol;SCHEMBL15463154;DTXSID90375310;XTAWFAFZHYWMHB-UHFFFAOYSA-N;MFCD04116451;AKOS017343658;alpha-(Trifluoromethyl)-4,4'-dimethoxybenzhydryl alcohol

Chemical Property of 2,2,2-Trifluoro-1,1-bis(4-methoxyphenyl)ethanol

Chemical Property:

• Vapor Pressure: 1.72E-07mmHg at 25°C
• Melting Point: 76°C
• Boiling Point: 411°C at 760 mmHg
• Flash Point: 185.4°C
• PSA: 38.69000
• Density: 1.258g/cm³
• LogP: 3.50200
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 312.09732882
• Heavy Atom Count: 22
• Complexity: 319

Purity/Quality:

98%min ^*data from raw suppliers

2,2,2-Trifluoro-1,1-bis(4-methoxyphenyl)ethanol 97% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C(F)(F)F)O

Technology Process of 2,2,2-Trifluoro-1,1-bis(4-methoxyphenyl)ethanol

There total 11 articles about 2,2,2-Trifluoro-1,1-bis(4-methoxyphenyl)ethanol 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: 99.0%

trifluoromethan (75-46-7) + bis(p-methoxyphenyl)methanone (90-96-0) → 4,4'-dimethoxy-α-phenyl-α-(trifluoromethyl)benzenemethanol (379-21-5)

Guidance literature:

trifluoromethan; bis(p-methoxyphenyl)methanone; With tris(trimethylsilyl)amine; phosphazene base-P₄-tert-butyl; In tetrahydrofuran; at 20 ℃; for 14h; Schlenk technique;

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; for 1h; Schlenk technique;

Reference yield: 94.0%

bis(p-methoxyphenyl)methanone (90-96-0) + C9H16N2*C3H2F6O2 (1400691-55-5) → 4,4'-dimethoxy-α-phenyl-α-(trifluoromethyl)benzenemethanol (379-21-5)

Guidance literature:

C₉H₁₆N₂*C₃H₂F₆O₂; With potassium tert-butylate; tetrabutyl-ammonium chloride; In N,N-dimethyl-formamide; at -30 ℃; for 0.5h;

bis(p-methoxyphenyl)methanone; In N,N-dimethyl-formamide; at -30 ℃; for 1.5h;

DOI:10.1021/ol303291x

Reference yield: 94.0%

→ 4,4'-dimethoxy-α-phenyl-α-(trifluoromethyl)benzenemethanol (379-21-5)

Guidance literature:

upstream raw materials:

4-methoxyphenyl magnesium bromide

trifluoroacetic anhydride

1,1-bis(p-methoxyphenyl)-2,2,2-trifluoroethyl chloride

ethyl trifluoroacetate,

Downstream raw materials:

1,1-bis(p-methoxyphenyl)-2,2,2-trifluoroethyl chloride

4,4'-(2,2,2-trifluoroethane-1,1-diyl)bis(methoxybenzene)

Refernces

• 1、 Funabiki, Kazumasa,Hayakawa, Ayaka,Kani, Ryunosuke,Inuzuka, Toshiyasu,Kubota, Yashuhiro. "One-Pot and Reducible-Functional-Group-Tolerant Synthesis of α-Aryl- and α-Heteroaryl-α-Trifluoromethyl Alcohols via Tandem Trifluoroacetylation and MPV Type Reduction". . p. 5978 - 5984. Retrieved 2019/08/30.
• 2、 Okusu, Satoshi,Hirano, Kazuki,Tokunaga, Etsuko,Shibata, Norio. "Organocatalyzed Trifluoromethylation of Ketones and Sulfonyl Fluorides by Fluoroform under a Superbase System". . p. 581 - 585. Retrieved 2015/10/20.