4-Ethyl-2-mercapto-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

Base Information

• Chemical Name: 4-Ethyl-2-mercapto-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
• CAS No.: 213203-86-2
• Molecular Formula: C₁₁H₁₂N₂S
• Molecular Weight: 204.296
• NSC Number: 705925
• DSSTox Substance ID: DTXSID201142871
• ChEMBL ID: CHEMBL1969715
• Mol file: 213203-86-2.mol

Synonyms:4-Ethyl-2-mercapto-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile;NSC705925;213203-86-2;4-ethyl-2-sulfanyl-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile;4-ethyl-2-sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile;4-ethyl-2-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carbonitrile;Oprea1_863930;CHEMBL1969715;DTXSID201142871;MFCD00812832;STL115775;AKOS001145615;NSC-705925;NCI60_037736;CS-0296567;EN300-25990;AB00080482-01;AE-848/11419472;SR-01000204370;SR-01000204370-1;Z104511350;4-Ethyl-2,5,6,7-tetrahydro-2-thioxo-1H-cyclopenta[b]pyridine-3-carbonitrile;4-ethyl-2-sulfanylidene-1H,2H,5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile

Chemical Property of 4-Ethyl-2-mercapto-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 204.07211956
• Heavy Atom Count: 14
• Complexity: 406

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=C(C(=S)NC2=C1CCC2)C#N

Technology Process of 4-Ethyl-2-mercapto-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

There total 1 articles about 4-Ethyl-2-mercapto-6,7-dihydro-5H-cyclopenta[b]pyridine-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:

1-(N-morpholino)cyclopent-1-ene (936-52-7) + Cyanothioacetamide (7357-70-2) + propionaldehyde (123-38-6) → 4-Ethyl-2-thioxo-2,5,6,7-tetrahydro-1H-[1]pyrindine-3-carbonitrile (213203-86-2)

Guidance literature:

With hydrogenchloride; Yield given. Multistep reaction; 1.) 20 deg C, 2 h, abs. ethanol, 2.) 24 h, pH 5;

DOI:10.1007/BF02290616

Reference yield: 85.0%

3-bromoacetylcoumarin (29310-88-1) + 4-Ethyl-2-thioxo-2,5,6,7-tetrahydro-1H-[1]pyrindine-3-carbonitrile (213203-86-2) → 4-Ethyl-2-[2-oxo-2-(2-oxo-2H-chromen-3-yl)-ethylsulfanyl]-6,7-dihydro-5H-[1]pyrindine-3-carbonitrile

Guidance literature:

With potassium hydroxide; In ethanol; for 2h;

DOI:10.1007/BF02290616

upstream raw materials:

1-(N-morpholino)cyclopent-1-ene

Cyanothioacetamide

propionaldehyde