4-Fluorobenzylamine

Base Information

• Chemical Name: 4-Fluorobenzylamine
• CAS No.: 140-75-0
• Molecular Formula: C7H8FN
• Molecular Weight: 125.146
• Hs Code.: 29214980
• European Community (EC) Number: 205-430-4
• NSC Number: 158269
• DSSTox Substance ID: DTXSID7059698
• Nikkaji Number: J184.430J
• Wikidata: Q72479283
• ChEMBL ID: CHEMBL12392
• Mol file: 140-75-0.mol

Synonyms:4-(18F)-fluorobenzylamine;4-fluorobenzylamine;p-(18F)-fluorobenzylamine;p-fluorobenzylamine

Chemical Property of 4-Fluorobenzylamine

Chemical Property:

• Appearance/Colour: Colorless to light yellow liquid
• Vapor Pressure: 0.134mmHg at 25°C
• Melting Point: 183 °C
• Refractive Index: n20/D 1.512(lit.)
• Boiling Point: 184.3 °C at 760 mmHg
• PKA: 9.01±0.10(Predicted)
• Flash Point: 73.3 °C
• PSA: 26.02000
• Density: 1.101 g/cm³
• LogP: 1.98470
• Storage Temp.: Store below +30°C.
• Sensitive.: Air Sensitive
• Water Solubility.: Soluble in water.
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 125.064077422
• Heavy Atom Count: 9
• Complexity: 77

Purity/Quality:

99% ^*data from raw suppliers

4-Fluorobenzylamine >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi
• Statements: 34-20/21/22
• Safety Statements: 26-27-36/37/39-45-36/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aromatic
• Canonical SMILES: C1=CC(=CC=C1CN)F
• Uses: 4-Fluorobenzylamine is used as a potassium channel blocking agent. It is used in the synthesis of new tris-iron(III) chelates of 3-hydroxy-4-pyridinone ligands. It reacts with the α- and γ-carboxyl groups of folic acid to yield 18F-labeled folate2. It is an important building block for the synthesis of 18F-labeled compounds.

Technology Process of 4-Fluorobenzylamine

There total 39 articles about 4-Fluorobenzylamine 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%

4-fluorobenzonitrile (1194-02-1,143234-87-1) → para-fluorobenzylamine (140-75-0)

Guidance literature:

With hydrogen; aluminum oxide; silica gel; nickel; In methanol; ammonia; at 120 ℃; for 6h; under 7600 Torr;

DOI:10.1055/s-2001-17481

Reference yield: 96.0%

4-fluorobenzaldehyde (459-57-4) → para-fluorobenzylamine (140-75-0)

Guidance literature:

With ammonia; hydrogen; In methanol; at 89.84 ℃; for 3h; under 30003 Torr;

DOI:10.1021/jacs.7b04481

Reference yield: 91.0%

2-(4-fluorobenzyl)isoindoline-1,3-dione (318-49-0) → para-fluorobenzylamine (140-75-0)

Guidance literature:

With p-tolyl phenylacetate; In dichloromethane; at 46 ℃; for 5h; Temperature;

upstream raw materials:

hexamethylenetetramine

1-chloromethyl-4-fluorobenzene

4-fluorobenzonitrile

2-(4-fluorobenzyl)isoindoline-1,3-dione

Downstream raw materials:

N-(4-fluorobenzyl)pyridine-2-amine

N-(4-fluorobenzyl)-N',N'-dimethylethylenediamine

3,5-bis-(4-fluoro-benzyl)-[1,3,5]thiadiazinane-2-thione

1-tert-Butyl-3-(4-fluoro-benzyl)-thiourea

Refernces

• 1、 -. "Synthesis method of p-fluorobenzylamine". Paragraph 0006; 0013; 0016-0018; 0021-0023; 0026-0027. . Retrieved 2021/06/13.
• 2、 Fan, Xiaomeng,Gao, Jin,Gao, Mingxia,Jia, Xiuquan,Ma, Jiping,Xu, Jie. "Self-regulated catalysis for the selective synthesis of primary amines from carbonyl compounds". supporting information. p. 7115 - 7121. Retrieved 2021/09/28.