4-(Dimethylamino)-4'-fluorobenzhydrol

Base Information

• Chemical Name: 4-(Dimethylamino)-4'-fluorobenzhydrol
• CAS No.: 39768-80-4
• Molecular Formula: C15H16FNO
• Molecular Weight: 245.297
• Hs Code.: 2922199090
• European Community (EC) Number: 675-405-4
• DSSTox Substance ID: DTXSID70374361
• Mol file: 39768-80-4.mol

Synonyms:4-(Dimethylamino)-4'-fluorobenzhydrol;39768-80-4;[4-(dimethylamino)phenyl]-(4-fluorophenyl)methanol;DTXSID70374361;AKOS013207733;(4-(dimethylamino)phenyl)(4-fluorophenyl)methanol

Chemical Property of 4-(Dimethylamino)-4'-fluorobenzhydrol

Chemical Property:

• Boiling Point: 387.2±37.0 °C(Predicted)
• PKA: 14.00±0.20(Predicted)
• PSA: 23.47000
• Density: 1.172±0.06 g/cm3(Predicted)
• LogP: 2.97340
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 245.121592296
• Heavy Atom Count: 18
• Complexity: 243

Purity/Quality:

98%min ^*data from raw suppliers

4-(DIMETHYLAMINO)-4'-FLUOROBENZHYDROL ^*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: CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)F)O

Technology Process of 4-(Dimethylamino)-4'-fluorobenzhydrol

There total 1 articles about 4-(Dimethylamino)-4'-fluorobenzhydrol 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:

4-fluorobenzaldehyde (459-57-4) + 4-dimethylaminophenylmagnesium bromide (7353-91-5) → (4-Dimethylamino-phenyl)-(4-fluoro-phenyl)-methanol (39768-80-4)

Guidance literature:

In diethyl ether; at 25 ℃; for 1h;

DOI:10.1007/BF00947733

Reference yield: 99.0%

(4-Dimethylamino-phenyl)-(4-fluoro-phenyl)-methanol (39768-80-4) → 4-((4-fluorophenyl)(methyl-d))-N,N-dimethylaniline

Guidance literature:

With dideuterioformic acid; C₁₉H₂₆ClIrN₃O⁽¹⁺⁾*Cl^(1-); water-d2; at 80 ℃; for 1h; Sealed tube;

DOI:10.1002/adsc.202000821

Reference yield: 98.0%

(4-Dimethylamino-phenyl)-(4-fluoro-phenyl)-methanol (39768-80-4) → 4-(4-fluorobenzyl)-N,N-dimethylaniline (38695-24-8)

Guidance literature:

With formic acid; C₁₉H₂₇ClIrN₃O⁽¹⁺⁾*Cl^(1-); In water; at 80 ℃; for 0.416667h;

DOI:10.1021/acscatal.8b02495

upstream raw materials:

4-fluorobenzaldehyde

4-dimethylaminophenylmagnesium bromide

Downstream raw materials:

4-(4-fluorobenzyl)-N,N-dimethylaniline

(4-(dimethylamino)phenyl)(4-fluorophenyl)methanone

Refernces