1-(4-Fluorophenyl)ethanamine

Base Information

• Chemical Name: 1-(4-Fluorophenyl)ethanamine
• CAS No.: 403-40-7
• Molecular Formula: C8H10FN
• Molecular Weight: 139.173
• Hs Code.: 29214990
• European Community (EC) Number: 206-958-8
• UNII: P5LVU25R8A
• DSSTox Substance ID: DTXSID80960739
• Nikkaji Number: J213.660K
• Mol file: 403-40-7.mol

Synonyms:1-(4-fluorophenyl)ethanamine;403-40-7;1-(4-Fluorophenyl)ethylamine;4-Fluoro-alpha-methylbenzylamine;1-(4-fluorophenyl)ethan-1-amine;dl-4-fluoro-alpha-methylbenzylamine;C8H10FN;EINECS 206-958-8;1-(p-fluorophenyl)-ethylamine;MFCD00041323;(+/-)-1-(4-fluorophenyl)ethylamine;P-FLUORO-ALPHA-METHYLBENZYLAMINE;Benzenemethanamine, 4-fluoro-Alpha-methyl-;4-Fluoro-alpha-methylbenzyl amine;1-(4'-fluorophenyl)ethanamine;4-Fluoro-a-methylbenzylamine;MFCD03092999;MFCD03093090;p-fluoro-a-methylbenzylamine;(S)-3-Boc-aminobutylamine;a-methyl-4-fluorobenzylamine;P5LVU25R8A;1-(p-Fluorophenyl)ethylamine;4-Fluoro--methylbenzyl amine;SCHEMBL157927;1-(4-fluorophenyl)-ethylamine;4-Fluoro-|A-methylbenzyl amine;alpha-methyl-4-fluorobenzylamine;[1-(4-fluorophenyl)ethyl]amine;1-(4-Fluoro-phenyl)-ethylamine;DTXSID80960739;p-Fluro-.alpha.-methylbenzylamine;p-Fluoro-.alpha.-methylbenzylamine;(rs)-1-(4-fluorophenyl)ethylamine;BCP12199;BCP12200;(?)-1-(4-Fluorophenyl)ethylamine;STK488082;AKOS000264483;AKOS016042315;4-Fluoro-alpha-methylbenzenemethanamine;4-Fluoro-alpha-methylbenzylamine, 96%;AC-9772;AM61962;CS-W011042;SB44502;(+)(-)-1-(4-fluorophenyl)ethylamine;AS-11013;SY002633;SY007451;SY007454;(^+)-1-(4-Fluorophenyl)ethylamine, 97%;A6407;FT-0604443;FT-0605286;FT-0698337;EN300-11890;A18743;racemic 4-fluoro-alpha-methylbenzenemethanamine;A826756;Z90122603;Benzenemethanamine, 4-fluoro-.alpha.-methyl-, (.alpha.R)-

Chemical Property of 1-(4-Fluorophenyl)ethanamine

Chemical Property:

• Appearance/Colour: Clear colorless to yellow or light orange liquid
• Vapor Pressure: 0.393mmHg at 25°C
• Melting Point: -30 °C
• Refractive Index: n20/D 1.502(lit.)
• Boiling Point: 185.423 °C at 760 mmHg
• PKA: 8.98±0.10(Predicted)
• Flash Point: 74.03 °C
• PSA: 26.02000
• Density: 1.063 g/cm³
• LogP: 2.54570
• Sensitive.: Air Sensitive
• 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:

98%,99%, ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): C, Xi
• Hazard Codes: C,Xi
• Statements: 34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)F)N
• Uses: 4-Fluoro-α-methylbenzylamine was used in the synthesis of novel thioureas with diuretic and saluretic activity. It has also been used for nucleophilic substitution reactions.

Technology Process of 1-(4-Fluorophenyl)ethanamine

There total 11 articles about 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) → 1-(4-fluorophenyl)ethylamine (403-40-7)

Guidance literature:

With nickel(II) tetrafluoroborate hexahydrate; ammonia; hydrogen; bis(2-diphenylphosphinoethyl)phenylphosphine; In 2,2,2-trifluoroethanol; at 120 ℃; for 24h; chemoselective reaction;

DOI:10.1039/d0sc01084g

Reference yield: 90.0%

N-chloro-1-(4-fluorophenyl)ethanimine (1559065-84-7) → 1-(4-fluorophenyl)ethylamine (403-40-7)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; at 20 ℃; for 2h;

DOI:10.1134/S1070363213120359

Reference yield: 89.0%

→ 1-(4-fluorophenyl)ethylamine (403-40-7)

Guidance literature:

With ammonium formate; In methanol; at 80 ℃; for 0.166667h; Inert atmosphere;

With formic acid; C₂₉H₃₂ClIrNO; triethylamine; In methanol; at 80 ℃;

upstream raw materials:

1-(4-fluorophenyl)ethanone oxime

acetonitrile

1-Bromo-4-fluorobenzene

1-(4-fluorophenyl)ethanone

Downstream raw materials:

C₁₉H₁₆FN₃O₄

C₁₉H₁₇FN₂O₂

C₁₉H₁₇FN₂O₂

(S)-N-(1-(4-fluorophenyl)ethyl)benzamide

Refernces

• 1、 Beller, Matthias,Chandrashekhar, Vishwas G.,Jagadeesh, Rajenahally V.,Jiao, Haijun,Murugesan, Kathiravan,Wei, Zhihong. "General and selective synthesis of primary amines using Ni-based homogeneous catalysts". . p. 4332 - 4339. Retrieved 2020/05/18.
• 2、 Chu, Benfa,Fang, Lili,Guo, Shan,Qi, Bing,Shi, Pengfei,Wang, Qi,Zhu, Jin. "Rh(III)-catalyzed synthesis of isoquinolines using the N-Cl bond of N-chloroimines as an internal oxidant". supporting information. . Retrieved 2020/03/10.