4-Chloro-6-fluoro-1,7-naphthyridine-3-carbonitrile

Base Information

• Chemical Name: 4-Chloro-6-fluoro-1,7-naphthyridine-3-carbonitrile
• CAS No.: 305371-18-0
• Molecular Formula: C9H3 Cl F N3
• Molecular Weight: 207.594
• DSSTox Substance ID: DTXSID701227747
• Mol file: 305371-18-0.mol

Synonyms:4-chloro-6-fluoro-1,7-naphthyridine-3-carbonitrile;305371-18-0;1,7-Naphthyridine-3-carbonitrile, 4-chloro-6-fluoro-;MFCD11109751;4-CHLORO-6-FLUORO-1,7-;SCHEMBL867875;XJFIAYNKSIJCTA-UHFFFAOYSA-N;DTXSID701227747;AMY33836;AKOS025146835;PB16352;AS-33743;PD120824;SY098502;DB-068310;CS-0050903;EN300-1689133;A849678;1,7-Naphthyridine-3-carbonitrile,4-chloro-6-fluoro-;4-chloro-6-fluoro-[1,7]naphthyridine-3-carbonitrile;4-chloro-6-fluoro-[1.7]naphthyridine-3-carbonitrile

Chemical Property of 4-Chloro-6-fluoro-1,7-naphthyridine-3-carbonitrile

Chemical Property:

• Boiling Point: 397.1±37.0 °C(Predicted)
• PKA: -0.25±0.30(Predicted)
• PSA: 49.57000
• Density: 1.52±0.1 g/cm3(Predicted)
• LogP: 2.29398
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 206.9999530
• Heavy Atom Count: 14
• Complexity: 264

Purity/Quality:

99%, ^*data from raw suppliers

4-Chloro-6-fluoro-1,7-naphthyridine-3-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C2C(=CN=C1F)N=CC(=C2Cl)C#N

Technology Process of 4-Chloro-6-fluoro-1,7-naphthyridine-3-carbonitrile

There total 9 articles about 4-Chloro-6-fluoro-1,7-naphthyridine-3-carbonitrile 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: 92.0%

6-fluoro-4-hydroxy-[1.7]naphthyridine-3-carbonitrile (305371-17-9) → 4-chloro-6-fluoro-[1,7]naphthyridine-3-carbonitrile (305371-18-0)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; for 3h; Heating / reflux;

Reference yield:

2-Fluoro-5-nitropyridine (456-24-6) → 4-chloro-6-fluoro-[1,7]naphthyridine-3-carbonitrile (305371-18-0)

Guidance literature:

Multi-step reaction with 7 steps

1.1: 70 percent / H₂ / Raney Ni / ethyl acetate

2.1: 96 percent / 2-methyl-propan-2-ol / 4 h / 40 °C

3.1: n-BuLi; tetramethylethylenediamine / diethyl ether / -78 °C

3.2: diethyl ether

4.1: methanol; CHCl₃; hexane / 2 h / 0 - 20 °C

5.1: n-BuLi / tetrahydrofuran / 1 h / -78 °C

5.2: AcOH / tetrahydrofuran / -78 - 20 °C

6.1: dimethylformamide / 5 h / 20 °C

7.1: 70 percent / (COCl)2; DMF / CH₂Cl₂ / 2 h / Heating

With n-butyllithium; oxalyl dichloride; N,N,N,N,-tetramethylethylenediamine; hydrogen; N,N-dimethyl-formamide; nickel; In tetrahydrofuran; methanol; diethyl ether; hexane; dichloromethane; chloroform; ethyl acetate; N,N-dimethyl-formamide; tert-butyl alcohol;

DOI:10.1016/j.bmcl.2004.01.034

Reference yield:

2-chloro-5-nitropyridine (4548-45-2) → 4-chloro-6-fluoro-[1,7]naphthyridine-3-carbonitrile (305371-18-0)

Guidance literature:

Multi-step reaction with 8 steps

1.1: 84 percent / KF / dimethylsulfoxide / 18 h / 70 °C

2.1: 70 percent / H₂ / Raney Ni / ethyl acetate

3.1: 96 percent / 2-methyl-propan-2-ol / 4 h / 40 °C

4.1: n-BuLi; tetramethylethylenediamine / diethyl ether / -78 °C

4.2: diethyl ether

5.1: methanol; CHCl₃; hexane / 2 h / 0 - 20 °C

6.1: n-BuLi / tetrahydrofuran / 1 h / -78 °C

6.2: AcOH / tetrahydrofuran / -78 - 20 °C

7.1: dimethylformamide / 5 h / 20 °C

8.1: 70 percent / (COCl)2; DMF / CH₂Cl₂ / 2 h / Heating

With potassium fluoride; n-butyllithium; oxalyl dichloride; N,N,N,N,-tetramethylethylenediamine; hydrogen; N,N-dimethyl-formamide; nickel; In tetrahydrofuran; methanol; diethyl ether; hexane; dichloromethane; chloroform; dimethyl sulfoxide; ethyl acetate; N,N-dimethyl-formamide; tert-butyl alcohol;

DOI:10.1016/j.bmcl.2004.01.034

upstream raw materials:

6-fluoro-4-hydroxy-[1.7]naphthyridine-3-carbonitrile

2-Fluoro-5-nitropyridine

2-chloro-5-nitropyridine

2-fluoro-5-aminopyridine

Downstream raw materials:

4-(3-chloro-4-fluorophenylamino)-6-fluoro-[1,7]naphthyridine-3-carbonitrile

4-(3-bromo-phenylamino)-6-fluoro-[1.7]naphthyridine-3-carbonitrile

4-(4-chloro-2-fluoro-phenylamino)-6-fluoro-[1.7]naphthyridine-3-carbonitrile

4-(4-benzoylphenylamino)-6-fluoro-1,7-naphthyridine-3-carbonitrile

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