5-Fluoro-2-methoxybenzylamine

Base Information

• Chemical Name: 5-Fluoro-2-methoxybenzylamine
• CAS No.: 148870-38-6
• Molecular Formula: C₈H₁₀FNO
• Molecular Weight: 155.172
• Hs Code.: 2921490090
• European Community (EC) Number: 682-072-9
• DSSTox Substance ID: DTXSID10592981
• Wikidata: Q82487355
• Mol file: 148870-38-6.mol

Synonyms:5-fluoro-2-methoxybenzylamine;148870-38-6;(5-FLUORO-2-METHOXYPHENYL)METHANAMINE;Benzenemethanamine, 5-fluoro-2-methoxy- (9CI);1-(5-Fluoro-2-methoxyphenyl)methanamine;MFCD06213625;Benzenemethanamine, 5-fluoro-2-methoxy-;SCHEMBL2447300;DTXSID10592981;IYQIJUZZRLPXIL-UHFFFAOYSA-N;5-Fluoro-2-methoxy-benzenemethanamine;AKOS009132009;JS-4661;SB76617;(5-fluoro-2-methoxyphenyl)-methanamine;SY228027;5-Fluoro-2-methoxybenzylamine, AldrichCPR;DS-018666;CS-0447041;EN300-152516;N12548;J-517511

Chemical Property of 5-Fluoro-2-methoxybenzylamine

Chemical Property:

• PSA: 35.25000
• LogP: 1.99330
• 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:

98.5% ^*data from raw suppliers

5-Fluoro-2-methoxybenzylamine ^*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)F)CN

Technology Process of 5-Fluoro-2-methoxybenzylamine

There total 1 articles about 5-Fluoro-2-methoxybenzylamine 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:

5-fluoro-2-methoxybenzonitrile (189628-38-4) → (5-fluoro-2-methoxyphenyl)methanamine (1978-39-8,148870-38-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 2h;

Reference yield: 82.5%

5-(methoxy)-1-benzothiophene-2-carboxylic acid (23046-02-8) + (5-fluoro-2-methoxyphenyl)methanamine (1978-39-8,148870-38-6) → N-(5-fluoro-2-methoxybenzyl)-5-methoxybenzothiophene-2-carboxamide

Guidance literature:

5-(methoxy)-1-benzothiophene-2-carboxylic acid; With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine; In dichloromethane; for 0.5h;

(5-fluoro-2-methoxyphenyl)methanamine; In dichloromethane; at 20 ℃;

DOI:10.3390/molecules26041001

Reference yield: 8.0%

(5-fluoro-2-methoxyphenyl)methanamine (1978-39-8,148870-38-6) + 5-(4-fluorophenyl)-11-methyl-1-oxo-2,4,5,11-tetrahydro-1H-2,5,11-triazadibenzo[cd,h]azulene-8-carboxylic acid → N-(5-fluoro-2-methoxybenzyl)-5-(4-fluorophenyl)-11-methyl-1-oxo-2,4,5,11-tetrahydro-1H-2,5,11-triazadibenzo[cd,h]azulene-8-carboxamide

Guidance literature:

With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl acetamide; at 100 ℃; for 0.166667h;

upstream raw materials:

5-fluoro-2-methoxybenzonitrile

Refernces