1-[4-(Difluoromethoxy)phenyl]ethanamine

Base Information

• Chemical Name: 1-[4-(Difluoromethoxy)phenyl]ethanamine
• CAS No.: 136123-72-3
• Molecular Formula: C₉H₁₁F₂NO
• Molecular Weight: 187.189
• Hs Code.: 2922390090
• European Community (EC) Number: 818-306-5
• Mol file: 136123-72-3.mol

Synonyms:1-[4-(difluoromethoxy)phenyl]ethanamine;136123-72-3;1-(4-(Difluoromethoxy)phenyl)ethanamine;Benzenemethanamine, 4-(difluoromethoxy)-.alpha.-methyl-;1-[4-(difluoromethoxy)phenyl]ethan-1-amine;1-(4-(Difluoromethoxy)phenyl)ethan-1-amine;Benzenemethanamine, 4-(difluoromethoxy)-alpha-methyl-, (alphaR)-;1-[4-(Difluoromethoxy)phenyl]ethylamine;SCHEMBL3647104;MFCD09028381;1-(4-difluoromethoxyphenyl)ethylamine;AKOS000123601;AKOS016347588;NCGC00328950-01;{1-[4-(difluoromethoxy)phenyl]ethyl}amine;CS-0197805;EN300-30453;F82960;AB01322657-02;4-(Difluoromethoxy)-alpha-Methylbenzenemethanamine;1-[4-(DIFLUOROMETHOXY)PHENYL]-1-ETHANAMINE;J-513716;1-[4-(Difluoromethoxy)phenyl]ethanamine, AldrichCPR;Z234894891

Chemical Property of 1-[4-(Difluoromethoxy)phenyl]ethanamine

Chemical Property:

• Boiling Point: 237.2±40.0 °C(Predicted)
• PKA: 8.87±0.10(Predicted)
• Density: 1.155±0.06 g/cm3(Predicted)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 187.08087030
• Heavy Atom Count: 13
• Complexity: 147

Purity/Quality:

98% ^*data from raw suppliers

1-[4-(difluoromethoxy)phenyl]ethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)OC(F)F)N

Technology Process of 1-[4-(Difluoromethoxy)phenyl]ethanamine

There total 4 articles about 1-[4-(Difluoromethoxy)phenyl]ethanamine 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-difluoromethoxy-acetophenone (83882-67-1) → dl-α-methyl-4-difluoromethoxybenzylamine (136123-72-3,1114088-78-6)

Guidance literature:

With ammonia; hydrogen; nickel; In methanol; at 100 - 120 ℃; for 6h; under 30400 Torr;

DOI:10.1002/(SICI)1096-9063(1998110)54:3<223::AID-PS814>3.0.CO;2-R

Reference yield:

1-(4-difluoromethoxy-phenyl)-ethanone oxime (149774-14-1) → dl-α-methyl-4-difluoromethoxybenzylamine (136123-72-3,1114088-78-6)

Guidance literature:

With ammonia; hydrogen; nickel; In ethanol; at 100 ℃; for 7h; under 14710.2 Torr;

DOI:10.1002/(SICI)1096-9063(1998110)54:3<223::AID-PS814>3.0.CO;2-R

Reference yield:

4-Hydroxyacetophenone (99-93-4) → dl-α-methyl-4-difluoromethoxybenzylamine (136123-72-3,1114088-78-6)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / dimethylformamide / 3 h / 100 °C

2: H₂; NH₃; Al(OH)3 / Raney nickel / methanol / 7 h / 100 °C / 14710.2 Torr

With aluminum hydroxide; ammonia; hydrogen; potassium carbonate; nickel; In methanol; N,N-dimethyl-formamide; 1: Alkylation / 2: Reduction;

DOI:10.1002/(SICI)1096-9063(1998110)54:3<223::AID-PS814>3.0.CO;2-R

upstream raw materials:

4-difluoromethoxy-acetophenone

1-(4-difluoromethoxy-phenyl)-ethanone oxime

4-Hydroxyacetophenone

dl-5-Chloro-6-methyl-4-(α-methyl-4-difluoromethoxybenzyl-amino)pyrimidine

Refernces

• 1、 -. "Fungicidal composition". . . Retrieved 2008/06/13.