N-[4-Fluoro-3-(1H-imidazol-1-ylmethyl)phenyl]-2-pyridinecarbothioamide

Base Information

Chemical Name:N-[4-Fluoro-3-(1H-imidazol-1-ylmethyl)phenyl]-2-pyridinecarbothioamide
CAS No.:123207-50-1
Molecular Formula:C₁₆H₁₃FN₄S
Molecular Weight:312.37
Hs Code.:
ChEMBL ID:CHEMBL115016
DSSTox Substance ID:DTXSID801153197
Nikkaji Number:J272.047G

Synonyms:CHEMBL115016;SCHEMBL10463175;DTXSID801153197;123207-50-1;N-[4-Fluoro-3-(1H-imidazol-1-ylmethyl)phenyl]-2-pyridinecarbothioamide

Suppliers and Price of N-[4-Fluoro-3-(1H-imidazol-1-ylmethyl)phenyl]-2-pyridinecarbothioamide

Supply Marketing:

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

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Chemical Property of N-[4-Fluoro-3-(1H-imidazol-1-ylmethyl)phenyl]-2-pyridinecarbothioamide

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:312.08449577
Heavy Atom Count:22
Complexity:381

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=NC(=C1)C(=S)NC2=CC(=C(C=C2)F)CN3C=CN=C3

Technology Process of N-[4-Fluoro-3-(1H-imidazol-1-ylmethyl)phenyl]-2-pyridinecarbothioamide

There total 8 articles about N-[4-Fluoro-3-(1H-imidazol-1-ylmethyl)phenyl]-2-pyridinecarbothioamide 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: 90.0%

: 123207-52-3
N-<4-fluoro-3-(hydroxymethyl)phenyl>-2-pyridinecarboxamide

: 123207-50-1
N-<4-fluoro-3-(1H-imidazol-1-ylmethyl)phenyl>-2-pyridinecarbothioamide

Guidance literature:

Reference yield: 39.0%

: 123207-58-9
N-<4-fluoro-3-(1H-imidazol-1-ylmethyl)phenyl>-2-pyridinecarboxamide

: 123207-50-1
N-<4-fluoro-3-(1H-imidazol-1-ylmethyl)phenyl>-2-pyridinecarbothioamide

Guidance literature:: With tetraphosphorus decasulfide; In pyridine; for 4h; Heating;
DOI:10.1021/jm00163a053

Reference yield:

: 27996-87-8
2-fluoro-5-nitrobenzaldehye

: 123207-50-1
N-<4-fluoro-3-(1H-imidazol-1-ylmethyl)phenyl>-2-pyridinecarbothioamide

Guidance literature:: Multi-step reaction with 7 steps

1: 83 percent / NaBH₄ / methanol / 0.5 h / 0 °C

2: 60 percent / SnCl₂*2H₂O / ethyl acetate / 24 h / Heating

3: 52 percent / Et₃N / CH₂Cl₂ / 1.) 0 deg C, 0.5 h, 2.) RT, 1 h

4: 90 percent / aq. K₂CO₃ / methanol; tetrahydrofuran / 48 h

5: 72 percent / CBr₄, PPh₃ / tetrahydrofuran / 1.) 0 deg C, 2 h, 2.) RT, overnight

6: 63 percent / dimethylformamide / 2 h / Ambient temperature

7: 39 percent / P₄S₁₀ / pyridine / 4 h / Heating

With sodium tetrahydroborate; tetraphosphorus decasulfide; carbon tetrabromide; potassium carbonate; triethylamine; triphenylphosphine; tin(ll) chloride; In tetrahydrofuran; pyridine; methanol; dichloromethane; ethyl acetate; N,N-dimethyl-formamide;
DOI:10.1021/jm00163a053