3-Cyano-7-methoxyquinoline-2-thiolate

Base Information

• Chemical Name: 3-Cyano-7-methoxyquinoline-2-thiolate
• CAS No.: 116705-02-3
• Molecular Formula: C₁₁H₈N₂OS
• Molecular Weight: 216.263
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID00922132
• Mol file: 116705-02-3.mol

Synonyms:3-cyano-7-methoxyquinoline-2-thiolate;DTXSID00922132;3-cyano-7-methoxy-2-quinolinethiolate;3-cyano-7-methoxy-quinoline-2-thiolate;A803661

Chemical Property of 3-Cyano-7-methoxyquinoline-2-thiolate

Chemical Property:

• Vapor Pressure: 4.31E-05mmHg at 25°C
• Refractive Index: 1.679
• Boiling Point: 426.5 °C at 760 mmHg
• PKA: 7.94±0.40(Predicted)
• Flash Point: 211.7 °C
• PSA: 84.71000
• Density: 1.36g/cm³
• LogP: 2.40378
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 215.02790902
• Heavy Atom Count: 15
• Complexity: 275

Purity/Quality:

98%min ^*data from raw suppliers

2-Mercapto-7-methoxy-quinoline-3-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=NC(=C(C=C2C=C1)C#N)[S-]

Technology Process of 3-Cyano-7-methoxyquinoline-2-thiolate

There total 10 articles about 3-Cyano-7-methoxyquinoline-2-thiolate 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: 89.0%

7-methoxyquinolin-2(1H)-one-3-carbonitrile (116704-99-5) → 7-Methoxy-2-thioxo-1,2-dihydro-quinoline-3-carbonitrile (116705-02-3)

Guidance literature:

With phosphorus pentasulfide; In pyridine; for 3h; Heating;

Reference yield:

2-chloro-7-methoxy-3-quinolinecarbonitrile (128259-63-2) → 7-Methoxy-2-thioxo-1,2-dihydro-quinoline-3-carbonitrile (116705-02-3)

Guidance literature:

With sodium hydrogensulfide; In ethanol; for 1h; Yield given; Heating;

Reference yield:

7-methoxyisothiazolo[5,4-b]quinoline (1009567-37-6) → 7-Methoxy-2-thioxo-1,2-dihydro-quinoline-3-carbonitrile (116705-02-3)

Guidance literature:

With sodium methylate; In methanol;

upstream raw materials:

2-chloro-7-methoxy-3-quinolinecarbonitrile

7-methoxyquinolin-2(1H)-one-3-carbonitrile

7-methoxyisothiazolo[5,4-b]quinoline

1,2-dihydro-7-methoxy-2-thioxo-quinolene-3-carbaldehyde

Downstream raw materials:

(E)-1-(3-Amino-7-methoxy-thieno[2,3-b]quinolin-2-yl)-3-phenyl-propenone

(E)-1-(3-Amino-7-methoxy-thieno[2,3-b]quinolin-2-yl)-3-(4-methoxy-phenyl)-propenone

Refernces

• 1、 Srivastava, Ambika,Chandra, Atish,Singh. "Thiophene-fused quinoline analogues: Facile synthesis of 3-amino-2-cyanothieno [2, 3-b] quinolines from 2-chloro-3-cyanoquinolines". . p. 2077 - 2081. Retrieved 2007/10/03.
• 2、 Raj, T. Tilak,Ambekar, Sarvottam Y.. "Synthesis of Pyrimidothienoquinolin-4(3H)-ones". . p. 537 - 551. Retrieved 2007/10/02.