3-Fluoropropan-1-amine

Base Information

• Chemical Name: 3-Fluoropropan-1-amine
• CAS No.: 462-41-9
• Molecular Formula: C3H8FN
• Molecular Weight: 77.1007
• Hs Code.: 2921290090
• European Community (EC) Number: 817-289-1
• DSSTox Substance ID: DTXSID30196763
• Nikkaji Number: J51.139K
• Wikidata: Q83069780
• ChEMBL ID: CHEMBL1162286
• Mol file: 462-41-9.mol

Synonyms:3-fluoropropan-1-amine;462-41-9;3-Fluoropropylamine;PROPYLAMINE, 3-FLUORO-;BRN 1731095;3-fluoro-propylamine;CH2FCH2CH2NH2;C3H8FN;CHEMBL1162286;C3-H8-F-N;DTXSID30196763;MFCD01694865;AKOS006340942;SB37260;LS-125698;EN300-84693

Chemical Property of 3-Fluoropropan-1-amine

Chemical Property:

• Vapor Pressure: 151mmHg at 25°C
• Boiling Point: 66.6°C at 760 mmHg
• PKA: 8.98±0.10(Predicted)
• PSA: 26.02000
• Density: 0.884g/cm³
• LogP: 1.00500
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 77.064077422
• Heavy Atom Count: 5
• Complexity: 16.4

Purity/Quality:

3-Fluoropropan-1-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(CN)CF

Technology Process of 3-Fluoropropan-1-amine

There total 2 articles about 3-Fluoropropan-1-amine 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:

3-fluoro-1-nitropropane (462-24-8) → 3-fluoropropylamine (462-41-9)

Guidance literature:

With ethanol; platinum; Hydrogenation;

DOI:10.1021/ja01595a059

Reference yield:

→ 3-fluoropropylamine (462-41-9)

Guidance literature:

With hydrazine hydrate; In ethanol; for 3h; Reflux;

Reference yield: 86.0%

3-fluoropropylamine (462-41-9) + (2S,3S,4R,5R,6S)-6-(2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxo-4H-chromen-6-yl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid → (2S,3S,4R,5R,6S)-6-(2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxo-4H-chromen-6-yl)-3,4,5-trihydroxy-N-(3-fluoropropyl)-tetrahydro-2H-pyran-2-carboxamide

Guidance literature:

(2S,3S,4R,5R,6S)-6-(2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-oxo-4H-chromen-6-yl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid; With 6-chloro-3-((dimethylamino)(dimethyliminio)methyl)-1H-benzo[d][1,2,3]triazol-3-ium-1-olatehexafluorophosphate(V); N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 0.166667h;

3-fluoropropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 5h;

DOI:10.1021/acschemneuro.8b00010

upstream raw materials:

3-fluoro-1-nitropropane

Refernces