Benzo[b][1,6]naphthyridine-4-carbonitrile, 3-(phenylthio)-

Base Information

• Chemical Name: Benzo[b][1,6]naphthyridine-4-carbonitrile, 3-(phenylthio)-
• CAS No.: 370844-73-8
• Molecular Formula: C19H11N3S
• Molecular Weight: 313.37600
• DSSTox Substance ID: DTXSID40355369
• Wikidata: Q82134225
• Mol file: 370844-73-8.mol

Synonyms:370844-73-8;Benzo[b][1,6]naphthyridine-4-carbonitrile, 3-(phenylthio)-;ChemDiv2_000785;Oprea1_106145;SCHEMBL18970723;DTXSID40355369;HMS1371D15;STK842050;AKOS001638001;3-(Phenylthio)benzo[b][1,6]naphthyridine-4-carbonitrile;3-(phenylsulfanyl)benzo[b][1,6]naphthyridine-4-carbonitrile;3-(PHENYLSULFANYL)BENZO[B]1,6-NAPHTHYRIDINE-4-CARBONITRILE

Chemical Property of Benzo[b][1,6]naphthyridine-4-carbonitrile, 3-(phenylthio)-

Chemical Property:

• PSA: 74.87000
• LogP: 4.80588
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 313.06736854
• Heavy Atom Count: 23
• Complexity: 453

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SC2=C(C3=NC4=CC=CC=C4C=C3C=N2)C#N

Technology Process of Benzo[b][1,6]naphthyridine-4-carbonitrile, 3-(phenylthio)-

There total 3 articles about Benzo[b][1,6]naphthyridine-4-carbonitrile, 3-(phenylthio)- 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: 96.0%

3-chloro-4-cyanobenzo<1,6>naphthyridine (104802-98-4) + thiophenol (108-98-5) → 4-cyano-3-(phenylthio)benzo[b][1,6]naphthyridine (370844-73-8)

Guidance literature:

With sodium acetate; In isopropyl alcohol; for 1.5h; Heating;

DOI:10.1023/A:1021636632164

Reference yield:

1-Phenyl-4-oxo-5-cyano-6-(β-dimethylaminovinyl)-1,4-dihydropyrimidine (103607-65-4) → 4-cyano-3-(phenylthio)benzo[b][1,6]naphthyridine (370844-73-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 61 percent / glacial AcOH; H₂O / 24 h / 20 °C

2: POCl₃ / Heating

3: 96 percent / AcONa / propan-2-ol / 1.5 h / Heating

With water; sodium acetate; acetic acid; trichlorophosphate; In isopropyl alcohol;

DOI:10.1023/A:1021636632164

Reference yield:

4-cyano-3-oxo-2,3-dihydrobenzo[b][1,6]naphthyridine (532412-93-4) → 4-cyano-3-(phenylthio)benzo[b][1,6]naphthyridine (370844-73-8)

Guidance literature:

Multi-step reaction with 2 steps

1: POCl₃ / Heating

2: 96 percent / AcONa / propan-2-ol / 1.5 h / Heating

With sodium acetate; trichlorophosphate; In isopropyl alcohol;

DOI:10.1023/A:1021636632164

upstream raw materials:

3-chloro-4-cyanobenzo<1,6>naphthyridine

thiophenol

1-Phenyl-4-oxo-5-cyano-6-(β-dimethylaminovinyl)-1,4-dihydropyrimidine

4-cyano-3-oxo-2,3-dihydrobenzo[b][1,6]naphthyridine

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 370844-73-8 Benzo[b][1,6]naphthyridine-4-carbonitrile, 3-(phenylthio)-

Send

Send

Metric Ton KG G Pound L ML

Send

Send