(R)-1-(4-fluorophenyl)ethanamine

Base Information

• Chemical Name: (R)-1-(4-fluorophenyl)ethanamine
• CAS No.: 374898-01-8
• Molecular Formula: C8H10FN
• Molecular Weight: 139.173
• Hs Code.: 29214990
• European Community (EC) Number: 662-942-4
• DSSTox Substance ID: DTXSID20426187
• Nikkaji Number: J1.372.616G
• Wikidata: Q72475858
• Mol file: 374898-01-8.mol

Synonyms:374898-01-8;(R)-1-(4-fluorophenyl)ethanamine;(R)-1-(4-Fluorophenyl)ethylamine;(1R)-1-(4-fluorophenyl)ethanamine;(r)-(+)-1-(4-fluorophenyl)ethylamine;(R)-1-(4-FLUOROPHENYL)-ETHYLAMINE;(1R)-1-(4-fluorophenyl)ethan-1-amine;MFCD03093090;(R)-4-Fluoro-alpha-methylbenzylamine;(1R)-(+)-1-(4-Fluorophenyl)ethylamine;SCHEMBL516801;DTXSID20426187;QGCLEUGNYRXBMZ-ZCFIWIBFSA-N;AMY37480;CS-D0231;(1R)-1-(4-fluorophenyl)ethylamine;(R)-1-(4-fluoro-phenyl)ethylamine;4-fluoro-alpha-(R)-methylbenzylamine;(R)-1-(4-Fluoro-phenyl)-ethylamine;AKOS005063986;AKOS010397807;DS-2437;PS-9065;(+)-(r)-1-(4-fluorophenyl)ethylamine;EN300-91166;J-500264;(R)-4-Fluoro-alpha-methylbenzylamine, ChiPros(R), produced by BASF, >=98.5% (GC)

Chemical Property of (R)-1-(4-fluorophenyl)ethanamine

Chemical Property:

• Vapor Pressure: 0.698mmHg at 25°C
• Melting Point: -30 °C
• Refractive Index: 1.501
• Boiling Point: 185.4 °C at 760 mmHg
• PKA: 8.98±0.10(Predicted)
• Flash Point: 74 °C
• PSA: 26.02000
• Density: 1.063 g/cm³
• LogP: 2.54570
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Air Sensitive
• Water Solubility.: Sparingly Soluble in water (1.5E-3 g/L) (25°C).
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 139.079727485
• Heavy Atom Count: 10
• Complexity: 97.4

Purity/Quality:

99% ^*data from raw suppliers

(R)-1-(4-Fluorophenyl)ethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,N,C
• Statements: 34-36/37/38-51/53-22
• Safety Statements: 26-36/37/39-61-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)F)N
• Isomeric SMILES: C[C@H](C1=CC=C(C=C1)F)N
• Uses: (R)-(+)-1-(4-Fluorophenyl)ethylamine, is used as a pharmaceutical intermediate and as a chemical in organic synthesis

Technology Process of (R)-1-(4-fluorophenyl)ethanamine

There total 24 articles about (R)-1-(4-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-(4-fluorophenyl)ethanone (403-42-9) → (R)-1-(4-fluorophenyl)ethylamine (374898-01-8)

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: 62.0%

(S)-1-(4-Fluoro-phenyl)-ethylamine (66399-30-2) → (R)-1-(4-fluorophenyl)ethylamine (374898-01-8)

Guidance literature:

With nickel; at 110 ℃; for 2h; Inert atmosphere;

DOI:10.1002/ejic.201300074

Reference yield:

1,5-diaminopentane (462-94-2) + 1-(4-fluorophenyl)ethanone (403-42-9) → 2,3,4,5-tetrahydropyridine (505-18-0) + (S)-1-(4-Fluoro-phenyl)-ethylamine (66399-30-2) + (R)-1-(4-fluorophenyl)ethylamine (374898-01-8)

Guidance literature:

With spuC gene from Pseudomonas putida; In dimethyl sulfoxide; at 40 ℃; for 24h; pH=9; enantioselective reaction; Enzymatic reaction;

DOI:10.1039/c6gc02102f

upstream raw materials:

1-(4-fluorophenyl)ethanone

(E)-1-(4-fluorophenyl)ethan-1-one oxime

1-(4-fluorophenyl)ethylamine

(E)-1-(4-fluorophenyl)ethanone O-benzyl oxime

Downstream raw materials:

(4,6-Dichloro-[1,3,5]triazin-2-yl)-[(R)-1-(4-fluoro-phenyl)-ethyl]-amine

N-[1-(4-fluoro-phenyl)-ethyl]-5-(methanesulfonyl-methyl-amino)-isophthalamic acid methyl ester

tert-butyl [5-({[3-({[(1R)-1-(4-fluorophenyl)ethyl]amino}carbonyl)-5-hydroxyphenoxy]acetyl}amino)pentyl]carbamate

N-[1-(4-fluoro-phenyl)-ethyl]-3-hydroxymethyl-5-(methanesulfonyl-methyl-amino)-benzamide

Refernces

• 1、 Chen, Fei-Fei,Wang, Hui,Xu, Jian-He,Yu, Hui-Lei,Zheng, Yu-Cong. "Enantioselective Bioamination of Aromatic Alkanes Using Ammonia: A Multienzymatic Cascade Approach". . . Retrieved 2020/03/10.
• 2、 Yoon, Sanghan,Patil, Mahesh D.,Sarak, Sharad,Jeon, Hyunwoo,Kim, Geon-Hee,Khobragade, Taresh P.,Sung, Sihyong,Yun, Hyungdon. "Deracemization of Racemic Amines to Enantiopure (R)- and (S)-amines by Biocatalytic Cascade Employing ω-Transaminase and Amine Dehydrogenase". . p. 1898 - 1902. Retrieved 2019/02/27.