2-Bromo-N-[[4-(fluoro-18F)phenyl]methyl]acetamide

Base Information

Chemical Name:2-Bromo-N-[[4-(fluoro-18F)phenyl]methyl]acetamide
CAS No.:190193-11-4
Molecular Formula:C₉H₉BrFNO
Molecular Weight:245.081
Hs Code.:
DSSTox Substance ID:DTXSID801231955

Synonyms:SCHEMBL20740269;DTXSID801231955;2-Bromo-N-[[4-(fluoro-18F)phenyl]methyl]acetamide;190193-11-4

Suppliers and Price of 2-Bromo-N-[[4-(fluoro-18F)phenyl]methyl]acetamide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2-Bromo-N-[[4-(fluoro-18F)phenyl]methyl]acetamide

Chemical Property:

XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:243.98769
Heavy Atom Count:13
Complexity:169

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1CNC(=O)CBr)F
Isomeric SMILES:C1=CC(=CC=C1CNC(=O)CBr)[18F]

Technology Process of 2-Bromo-N-[[4-(fluoro-18F)phenyl]methyl]acetamide

There total 3 articles about 2-Bromo-N-[[4-(fluoro-18F)phenyl]methyl]acetamide 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: 60.0%

: 598-21-0
2-Bromoacetyl bromide

: 131865-54-8
4-(([¹⁸F]-fluoro)phenyl)methanamine

: 190193-11-4
4-[18F]fluorobenzyl-2-bromoacetamide 4-fluorobenzyl-2-bromoacetamide

Guidance literature:: In dichloromethane; water; at 25 ℃; for 0.0333333h;
DOI:10.1002/1099-1344(200007)43:8<837::AID-JLCR368>3.0.CO;2-2

Reference yield:

: 4-cyano-N,N,N-trimethylanilinium trifluoromethansulfonate

: 190193-11-4
4-[18F]fluorobenzyl-2-bromoacetamide 4-fluorobenzyl-2-bromoacetamide

Guidance literature:: Multi-step reaction with 3 steps

1: potassium carbonate; [18F]fluoride ion, cyclotron produced, NCA; [2.2.2]cryptande / acetonitrile / 0.17 h / 130 °C

2: lithium aluminium tetrahydride / 0.03 h / 120 °C

3: dichloromethane / 0.03 h / 20 °C

With lithium aluminium tetrahydride; potassium carbonate; [2.2.2]cryptande; [18F]fluoride ion, cyclotron produced, NCA; In dichloromethane; acetonitrile;
DOI:10.1021/acs.bioconjchem.5b00040

Reference yield:

: 81755-10-4
4-[18F]fluorobenzonitrile

: 190193-11-4
4-[18F]fluorobenzyl-2-bromoacetamide 4-fluorobenzyl-2-bromoacetamide

Guidance literature:: Multi-step reaction with 2 steps

1: lithium aluminium tetrahydride / 0.03 h / 120 °C

2: dichloromethane / 0.03 h / 20 °C

With lithium aluminium tetrahydride; In dichloromethane;
DOI:10.1021/acs.bioconjchem.5b00040