N-Ethyl-3-fluorobenzylamine

Base Information

• Chemical Name: N-Ethyl-3-fluorobenzylamine
• CAS No.: 90389-85-8
• Molecular Formula: C9H12 F N
• Molecular Weight: 153.199
• Hs Code.: 2921499090
• European Community (EC) Number: 860-346-0
• DSSTox Substance ID: DTXSID10238115
• Wikidata: Q83120371
• ChEMBL ID: CHEMBL1178122
• Mol file: 90389-85-8.mol

Synonyms:90389-85-8;N-Ethyl-3-fluorobenzylamine;N-(3-fluorobenzyl)ethanamine;N-[(3-fluorophenyl)methyl]ethanamine;Benzenemethanamine, N-ethyl-3-fluoro-;Ethyl-(3-fluoro-benzyl)-amine;MFCD06655514;Docosahexaenoicacid;ethyl (3-fluorobenzyl)amine;SCHEMBL2720282;CHEMBL1178122;DTXSID10238115;HMS1780B18;AKOS000201380;AC-2713;SB76281;AM101544;DS-17502;SY002642;ETHYL[(3-FLUOROPHENYL)METHYL]AMINE;CS-0151969;FT-0695141;EN300-12811;A860820;Z85935746

Chemical Property of N-Ethyl-3-fluorobenzylamine

Chemical Property:

• Vapor Pressure: 0.534mmHg at 25°C
• Boiling Point: 190.7°Cat760mmHg
• PKA: 9.41±0.10(Predicted)
• Flash Point: 69.1°C
• PSA: 12.03000
• Density: 1.009g/cm³
• LogP: 2.32610
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 153.095377549
• Heavy Atom Count: 11
• Complexity: 106

Purity/Quality:

98%min ^*data from raw suppliers

N-Ethyl-3-fluorobenzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNCC1=CC(=CC=C1)F

Technology Process of N-Ethyl-3-fluorobenzylamine

There total 2 articles about N-Ethyl-3-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:

Ethyl-[1-(3-fluoro-phenyl)-meth-(E)-ylidene]-amine → N-(3-fluorobenzyl)ethanamine (90389-85-8)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 2h; Heating;

DOI:10.1021/jm00375a005

Reference yield:

3-Fluorobenzaldehyde (456-48-4) → N-(3-fluorobenzyl)ethanamine (90389-85-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 1 h / Ambient temperature

2: LiAlH₄ / diethyl ether / 2 h / Heating

With lithium aluminium tetrahydride; In diethyl ether;

DOI:10.1021/jm00375a005

Reference yield: 73.3%

N-(3-fluorobenzyl)ethanamine (90389-85-8) + 4-((6-bromohexyl)oxy)benzaldehyde (141823-14-5) → 4-((6-(ethyl(3-fluorobenzyl)amino)hexyl)oxy)benzaldehyde

Guidance literature:

With potassium carbonate; In acetonitrile; for 8h; Reflux;

DOI:10.1039/c3md00376k

upstream raw materials:

3-Fluorobenzaldehyde

Downstream raw materials:

2,6-dichloro-4-(6-(ethyl(3-fluorobenzyl)amino)pyridazin-3-yl)phenol

C₁₃H₁₃ClFN₃

C₁₃H₁₃FIN₃

Refernces