1-(3-Fluorophenyl)ethanamine

Base Information

• Chemical Name: 1-(3-Fluorophenyl)ethanamine
• CAS No.: 74788-45-7
• Molecular Formula: C₈H₁₀FN
• Molecular Weight: 139.173
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID90382044
• Nikkaji Number: J3.658.716D
• Mol file: 74788-45-7.mol

Synonyms:1-(3-fluorophenyl)ethanamine;74788-45-7;1-(3-FLUOROPHENYL)ETHYLAMINE;1-(3-fluorophenyl)ethan-1-amine;(RS)-1-(3-Fluorophenyl)ethylamine;(S)-1(3-Fluorophenyl)ethanamine;MFCD06761859;3-fluoro-alpha-methylbenzylamine;SCHEMBL146546;1-(3-fluorophenyl)-ethylamine;DTXSID90382044;ASNVMKIDRJZXQZ-UHFFFAOYSA-N;1-(3-Fluorophenyl)-1-ethanaMine;BCP09417;MFCD04038308;(+/-)-1-(3-fluorophenyl)ethylamine;AKOS000118598;AKOS016843883;PS-9382;SB75408;SB75451;(+/-)-1-(3-fluorophenyl)-ethylamine;68285-27-8;SY008725;CS-0040943;FT-0648203;FT-0648812;FT-0668699;EN300-10651;J3.658.716D;A19131;(RS)-1-(3-fluorophenyl)ethylamine, AldrichCPR;Z56347483;Benzenemethanamine, 3-fluoro-(c) paragraph sign-methyl-, ((c) paragraph signR)-

Chemical Property of 1-(3-Fluorophenyl)ethanamine

Chemical Property:

• Vapor Pressure: 0.804mmHg at 25°C
• Refractive Index: 1.512
• Boiling Point: 182.6°C at 760 mmHg
• Flash Point: 72.1°C
• PSA: 26.02000
• Density: 1.059
• LogP: 2.54570
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• 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

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

Safty Information:

• Hazard Codes: Xi
• Statements: 34-52
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC(=CC=C1)F)N
• Uses: 1-(3-Fluorophenyl)ethylamine is a fluorinated arylamine used in the preparation of compounds with anticonvulsant activity.

Technology Process of 1-(3-Fluorophenyl)ethanamine

There total 7 articles about 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: 100.0%

1-(3-fluorophenyl)ethanone oxime (329-54-4) → 3-fluoro-α-methylbenzylamine (68285-27-8,74788-45-7,444643-09-8)

Guidance literature:

With hydrogenchloride; copper(II) sulfate; zinc; In ethanol; water; at 20 ℃; for 3h;

DOI:10.1016/j.ejmech.2021.113190

Reference yield: 92.1%

→ 3-fluoro-α-methylbenzylamine (68285-27-8,74788-45-7,444643-09-8)

Guidance literature:

With ammonia; sodium acetate; zinc; In ethanol; for 3h; Reflux;

Reference yield: 90.0%

1-(3-fluorophenyl)ethanone (455-36-7) → 3-fluoro-α-methylbenzylamine (68285-27-8,74788-45-7,444643-09-8)

Guidance literature:

With 4-methoxy-N-(1-(naphthalen-2-yl)ethylidene)aniline; ammonium formate; In methanol; at 80 ℃; for 12h; chemoselective reaction; Inert atmosphere;

DOI:10.1002/chem.201303541

upstream raw materials:

N-(1-(3-fluorophenyl)ethyl)formamide

1-(3-fluorophenyl)ethanone

1-(3-fluorophenyl)ethanone oxime

isopropylamine

Downstream raw materials:

C₂₀H₁₈FN₃O₅

C₂₂H₂₈FN₉

isopropylamine

(S)-3-fluoro-α-methylbenzylamine

Refernces

• 1、 Chand-Thakuri, Pratibha,Landge, Vinod G.,Kapoor, Mohit,Young, Michael C.. "One-Pot C-H Arylation/Lactamization Cascade Reaction of Free Benzylamines". . p. 6626 - 6644. Retrieved 2020/07/14.
• 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.