1-(4-(Dimethylamino)phenyl)-2,2,2-trifluoroethanol

Base Information

• Chemical Name: 1-(4-(Dimethylamino)phenyl)-2,2,2-trifluoroethanol
• CAS No.: 75822-13-8
• Molecular Formula: C10H12F3NO
• Molecular Weight: 219.207
• DSSTox Substance ID: DTXSID00474121
• Nikkaji Number: J1.218.540E
• Mol file: 75822-13-8.mol

Synonyms:1-(4-(dimethylamino)phenyl)-2,2,2-trifluoroethanol;75822-13-8;1-[4-(Dimethylamino)phenyl]-2,2,2-trifluoroethanol;1-(4-(dimethylamino)phenyl)-2,2,2-trifluoroethan-1-ol;1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethan-1-ol;SCHEMBL15463153;DTXSID00474121;SOYRNYDJSIZAFO-UHFFFAOYSA-N;MFCD00455514;AKOS010910002;SY249787;CS-0455550;EN300-362974;J-503207;4-(Dimethylamino)-alpha-(trifluoromethyl)benzyl Alcohol

Chemical Property of 1-(4-(Dimethylamino)phenyl)-2,2,2-trifluoroethanol

Chemical Property:

• PSA: 23.47000
• LogP: 2.34830
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 219.08709849
• Heavy Atom Count: 15
• Complexity: 197

Purity/Quality:

99% ^*data from raw suppliers

4-(Dimethylamino)-α-(trifluoromethyl)-benzenemethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC=C(C=C1)C(C(F)(F)F)O

Technology Process of 1-(4-(Dimethylamino)phenyl)-2,2,2-trifluoroethanol

There total 11 articles about 1-(4-(Dimethylamino)phenyl)-2,2,2-trifluoroethanol 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: 98.0%

1-(4-(dimethylamino)phenyl)-2,2,2-trifluoroethanone (2396-05-6) → 4-(2,2,2-trifluoro-1-hydroxyethyl)-N,N-dimethylaniline (75822-13-8)

Guidance literature:

With sodium tetrahydroborate; In isopropyl alcohol; for 16h; Ambient temperature;

Reference yield: 95.0%

N,N-dimethyl-aniline (121-69-7,77733-26-7) + ethyl trifluoroacetaldehyde hemiacetal (433-27-2) → 4-(2,2,2-trifluoro-1-hydroxyethyl)-N,N-dimethylaniline (75822-13-8)

Guidance literature:

at 120 ℃; for 6h;

DOI:10.1246/bcsj.74.377

Reference yield: 94.0%

2,2,2-trifluoro-1,1-ethanediol (421-53-4) + 4-dimethylamino-benzaldehyde (100-10-7) → 4-(2,2,2-trifluoro-1-hydroxyethyl)-N,N-dimethylaniline (75822-13-8)

Guidance literature:

2,2,2-trifluoro-1,1-ethanediol; With potassium tert-butylate; In N,N-dimethyl-formamide; at -50 ℃; for 0.583333h;

4-dimethylamino-benzaldehyde; In N,N-dimethyl-formamide; at -50 ℃; for 1h;

DOI:10.1021/jo400202w

upstream raw materials:

1-(4-(dimethylamino)phenyl)-2,2,2-trifluoroethanone

1-(4-(Dimethylamino)phenyl)-2,2,2-trifluoroethyl 3,5-dinitrobenzoate

dimethyl amine

Bromotrifluoromethane

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