(3-Fluoro-4-methoxyphenyl)methanamine

Base Information

• Chemical Name: (3-Fluoro-4-methoxyphenyl)methanamine
• CAS No.: 123652-95-9
• Molecular Formula: C8H10FNO
• Molecular Weight: 155.172
• Hs Code.: 2922299090
• European Community (EC) Number: 642-794-7
• DSSTox Substance ID: DTXSID50559770
• Nikkaji Number: J3.001.105H
• Wikidata: Q82442610
• Mol file: 123652-95-9.mol

Synonyms:123652-95-9;(3-fluoro-4-methoxyphenyl)methanamine;3-Fluoro-4-methoxybenzylamine;2-Fluoro-4-(aminomethyl)anisole;3-fluoro-4-methoxybenzyl amine;MFCD04116360;3-FLUORO-4-METHOXYBENZYLAMINIE;SCHEMBL855493;DTXSID50559770;AZHAJNNLBSKSOB-UHFFFAOYSA-N;CL9529;AKOS005257555;CS-W005852;FS-1331;SB76182;1-(3-Fluoro-4-methoxyphenyl)methanamine;SY102148;3-Fluoro-4-methoxybenzylamine, AldrichCPR;AMINOACIDHYDROXAMATESGLYCINEHYDROXAMATE;EN300-31785;A847184

Chemical Property of (3-Fluoro-4-methoxyphenyl)methanamine

Chemical Property:

• Vapor Pressure: 0.0516mmHg at 25°C
• Refractive Index: 1.513
• Boiling Point: 234.9 °C at 760 mmHg
• PKA: 9.04±0.10(Predicted)
• Flash Point: 95.9 °C
• PSA: 35.25000
• Density: 1.127 g/cm³
• LogP: 1.99330
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Sensitive.: Air Sensitive
• Water Solubility.: Immiscible with water.
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 155.074642105
• Heavy Atom Count: 11
• Complexity: 121

Purity/Quality:

99%, ^*data from raw suppliers

(3-Fluoro-4-methoxyphenyl)methanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CN)F
• Uses: 3-Fluoro-4-methoxybenzylamine is used as an intermediate in organic synthesis.

Technology Process of (3-Fluoro-4-methoxyphenyl)methanamine

There total 5 articles about (3-Fluoro-4-methoxyphenyl)methanamine 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: 90.0%

3-fluoro-4-methoxybenzonitrile (331-62-4) → 1-(3-fluoro-4-methoxyphenyl)methanamine (123652-95-9)

Guidance literature:

With Raney-Nickel; In methanol; at 20 ℃; Reagent/catalyst;

Reference yield: 61.0%

3-fluoro-4-methoxy-benzamide (701640-04-2) → 1-(3-fluoro-4-methoxyphenyl)methanamine (123652-95-9)

Guidance literature:

3-fluoro-4-methoxy-benzamide; With sodium tetrahydroborate; boron trifluoride diethyl etherate; In tetrahydrofuran; for 15h; Heating / reflux;

With water; citric acid; In tetrahydrofuran; ethyl acetate;

With sodium hydrogencarbonate; In water; pH=8;

Reference yield:

3-fluoro-p-anisaldehyde (351-54-2) → 1-(3-fluoro-4-methoxyphenyl)methanamine (123652-95-9)

Guidance literature:

3-fluoro-p-anisaldehyde; With hydroxylamine hydrochloride; sodium acetate; In ethanol; water; at 70 ℃; for 1.5h;

With palladium 10% on activated carbon; hydrogen; In methanol; ethyl acetate; for 6h; under 3040.2 Torr;

DOI:10.1039/c8md00604k

upstream raw materials:

3-fluoro-4-methoxy-benzamide

3-fluoro-4-methoxybenzonitrile

3-fluoro-p-anisic acid

3-fluoro-4-methoxybenzoylchloride

Refernces

• 1、 Tsotinis, Andrew,Kompogennitaki, Rodanthi,Papanastasiou, Ioannis,Garratt, Peter J.,Bocianowska, Alina,Sugden, David. "Fluorine substituted methoxyphenylalkyl amides as potent melatonin receptor agonists?". . p. 460 - 464. Retrieved 2019/05/29.
• 2、 -. "TROPANE COMPOUNDS". Page/Page column 372. . Retrieved 2009/05/30.