(R)-1-(3-fluorophenyl)ethanamine

Base Information

• Chemical Name: (R)-1-(3-fluorophenyl)ethanamine
• CAS No.: 761390-58-3
• Molecular Formula: C8H10 F N
• Molecular Weight: 139.173
• Hs Code.: 2921499090
• European Community (EC) Number: 691-826-6
• DSSTox Substance ID: DTXSID20426809
• Wikidata: Q72475865
• Mol file: 761390-58-3.mol

Synonyms:(R)-1-(3-fluorophenyl)ethanamine;761390-58-3;(1R)-1-(3-fluorophenyl)ethanamine;(R)-1-(3-Fluorophenyl)ethylamine;(1R)-1-(3-fluorophenyl)ethan-1-amine;(1R)-1-(3-Fluorophenyl)ethylamine;MFCD06761859;SCHEMBL800515;DTXSID20426809;ASNVMKIDRJZXQZ-ZCFIWIBFSA-N;SC1338;AKOS010366962;AKOS015840224;AC-2286;PS-9066;CS-0000301;EN300-53084;(AlphaR)-3-fluoro-alpha-methylbenzenemethanamine;A838618;J-501730;(R)-1-(3-Fluorophenyl)ethanamine

Chemical Property of (R)-1-(3-fluorophenyl)ethanamine

Chemical Property:

• Boiling Point: 182.6±15.0 °C(Predicted)
• PKA: 8.72±0.10(Predicted)
• PSA: 26.02000
• Density: 1.063±0.06 g/cm3(Predicted)
• LogP: 2.54570
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 139.079727485
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

99% ^*data from raw suppliers

(R)-1-(3-Fluorophenyl)ethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC(=CC=C1)F)N
• Isomeric SMILES: C[C@H](C1=CC(=CC=C1)F)N

Technology Process of (R)-1-(3-fluorophenyl)ethanamine

There total 8 articles about (R)-1-(3-fluorophenyl)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: 91.0%

1-(3-fluorophenyl)ethanone (455-36-7) → (R)-(-)-1-(3-fluorophenyl)ethylamine (761390-58-3,444643-09-8)

Guidance literature:

With Ru⁽²⁺⁾*2C₂H₃O₂^(1-)*C₇₇H₁₀₈O₆P₂; hydrogen; sodium acetate; In 2,2,2-trifluoroethanol; at 100 ℃; for 24h; under 42754.3 Torr; enantioselective reaction; Autoclave;

DOI:10.1021/jacs.7b12898

Reference yield:

(R)-1-(3-fluorophenyl)ethanol → (R)-(-)-1-(3-fluorophenyl)ethylamine (761390-58-3,444643-09-8) + 1-(3-fluorophenyl)ethanone (455-36-7)

Guidance literature:

With formate dehydrogenase from Candida boidinii; chimeric amine dehydrogenase generated through domain shuffling of Bb‐PhAmDH variant and L‐AmDH variant, the latter originated from the leucinedehydrogenase from Bacillus stearothermophilus; NADPH oxidase from Bacillus subtilis; wild‐type alcohol dehydrogenase from Lactobacillus brevis; nicotinamide adenine dinucleotide phosphate; nicotinamide adenine dinucleotide; catalase; In aq. buffer; at 30 ℃; for 24h; pH=8.5; stereospecific reaction; Enzymatic reaction;

DOI:10.1039/c7ob01927k

Reference yield:

(S)-1-(3-fluorophenyl)ethanol → (R)-(-)-1-(3-fluorophenyl)ethylamine (761390-58-3,444643-09-8) + 1-(3-fluorophenyl)ethanone (455-36-7)

Guidance literature:

With formate dehydrogenase from Candida boidinii; alcohol dehydrogenase from Thermoanaerobacter ethanolicus W₁₁₀A variant; chimeric amine dehydrogenase generated through domain shuffling of Bb‐PhAmDH variant and L‐AmDH variant, the latter originated from the leucinedehydrogenase from Bacillus stearothermophilus; NADPH oxidase from Bacillus subtilis; nicotinamide adenine dinucleotide phosphate; nicotinamide adenine dinucleotide; catalase; In aq. buffer; at 30 ℃; for 24h; pH=8.5; stereospecific reaction; Enzymatic reaction;

DOI:10.1039/c7ob01927k

upstream raw materials:

[(S)-1-(3-Fluoro-phenyl)-ethyl]-((S)-1-phenyl-ethyl)-amine

[(R)-1-(3-Fluoro-phenyl)-ethyl]-((S)-1-phenyl-ethyl)-amine

1-(3-fluorophenyl)ethanone

3-Methyl-2,4-pentanedione

Downstream raw materials:

(R)-N-(3-bromo-4-methoxybenzyl)-1-(3-fluorophenyl)ethanamine

(1R)-1-(3-fluorophenyl)-N-((1R)-1-(1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)ethyl)ethanamine

C₂₃H₂₆FN₉O

C₂₁H₁₉FN₄O

Refernces

• 1、 Tan, Xuefeng,Gao, Shuang,Zeng, Weijun,Xin, Shan,Yin, Qin,Zhang, Xumu. "Asymmetric Synthesis of Chiral Primary Amines by Ruthenium-Catalyzed Direct Reductive Amination of Alkyl Aryl Ketones with Ammonium Salts and Molecular H2". supporting information. p. 2024 - 2027. Retrieved 2018/02/19.
• 2、 Martínez-Montero, Lía,Gotor, Vicente,Gotor-Fernández, Vicente,Lavandera, Iván. "Stereoselective amination of racemic sec-alcohols through sequential application of laccases and transaminases". supporting information. p. 474 - 480. Retrieved 2017/06/23.