Benzenemethanamine, 3,5-difluoro-alpha-methyl-, (alphaR)- (9CI)

Base Information

• Chemical Name: Benzenemethanamine, 3,5-difluoro-alpha-methyl-, (alphaR)- (9CI)
• CAS No.: 771465-40-8
• Molecular Formula: C₈H₉F₂N
• Molecular Weight: 157.163
• Hs Code.: 2921490090
• Mol file: 771465-40-8.mol

Synonyms:(1R)-1-(3,5-Difluorophenyl)ethanamine;

Chemical Property of Benzenemethanamine, 3,5-difluoro-alpha-methyl-, (alphaR)- (9CI)

Chemical Property:

• Boiling Point: 175.4±25.0 °C(Predicted)
• PKA: 8.40±0.10(Predicted)
• PSA: 26.02000
• Density: 1.163±0.06 g/cm3(Predicted)
• LogP: 2.68480
• Storage Temp.: 2-8°C(protect from light)

Purity/Quality:

99% ^*data from raw suppliers

(R)-1-(3,5-Difluorophenyl)ethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzenemethanamine, 3,5-difluoro-alpha-methyl-, (alphaR)- (9CI)

There total 13 articles about Benzenemethanamine, 3,5-difluoro-alpha-methyl-, (alphaR)- (9CI) 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%

[(S)-1-(3,5-Difluoro-phenyl)-ethyl]-((S)-1-phenyl-ethyl)-amine (444643-14-5) → (S)-1-(3,5-Difluoro-phenyl)-ethylamine (321318-29-0,444643-16-7,771465-40-8)

Guidance literature:

With hydrogen; acetic acid; palladium on activated charcoal; In methanol; at 60 ℃; for 12h; under 3750.3 Torr;

DOI:10.1246/cl.2004.1424

Reference yield:

[(S)-1-(3,5-Difluoro-phenyl)-ethyl]-((S)-1-phenyl-ethyl)-amine (444643-14-5) + [(R)-1-(3,5-Difluoro-phenyl)-ethyl]-((S)-1-phenyl-ethyl)-amine (444643-15-6) → (R)-1-(3,5-difluorophenyl)ethan-1-amine (321318-29-0,444643-16-7,771465-40-8) + (S)-1-(3,5-Difluoro-phenyl)-ethylamine (321318-29-0,444643-16-7,771465-40-8)

Guidance literature:

With hydrogen; 5%-palladium/activated carbon; In methanol; at 60 ℃; for 21h; under 3750.38 Torr; Heating;

Reference yield:

[(S)-1-(3,5-Difluoro-phenyl)-ethyl]-((S)-1-phenyl-ethyl)-amine (444643-14-5) + [(R)-1-(3,5-Difluoro-phenyl)-ethyl]-((S)-1-phenyl-ethyl)-amine (444643-15-6) → (R)-1-(3,5-difluorophenyl)ethan-1-amine (321318-29-0,444643-16-7,771465-40-8) + (S)-1-(3,5-Difluoro-phenyl)-ethylamine (321318-29-0,444643-16-7,771465-40-8)

Guidance literature:

With hydrogen; 5%-palladium/activated carbon; In methanol; at 60 ℃; for 21h; under 3750.38 Torr; Heating;

upstream raw materials:

[(S)-1-(3,5-Difluoro-phenyl)-ethyl]-((S)-1-phenyl-ethyl)-amine

[(R)-1-(3,5-Difluoro-phenyl)-ethyl]-((S)-1-phenyl-ethyl)-amine

1-(3,5-difluorophenyl)ethylamine

3′,5′-difluoroacetophenone

Downstream raw materials:

(8S)-8-(3,5-difluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decan-10-one

lithium [(3R)-1-(tert-butoxycarbonyl)-3-(3,5-difluorophenyl)-3-methyl-5-oxo-1,4-diazaspiro[5.5]undec-4-yl]acetate

tert-butyl (3R)-3-(3,5-difluorophenyl)-4-(2-ethoxy-2-oxoethyl)-3-methyl-5-oxo-1,4-diazaspiro[5.5]undecane-1-carboxylate

methyl 1-{[2-[(tert-butoxycarbonyl)amino]-2-(3,5-difluorophenyl)propyl]amino}cyclohexane-1-carboxylate

Refernces

• 1、 -. "ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM". Paragraph 0288; 0291; 0292; 0887; 088; 0889. . Retrieved 2017/06/12.
• 2、 -. "3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH". Page/Page column 158; 159. . Retrieved 2014/09/29.