4-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine

Base Information

• Chemical Name: 4-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
• CAS No.: 7511-83-3
• Molecular Formula: C₈H₁₁N₃S
• Molecular Weight: 181.261
• NSC Number: 27372
• DSSTox Substance ID: DTXSID20282689
• Wikidata: Q82017034

Synonyms:7511-83-3;4-(Methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine;NSC27372;DTXSID20282689;NSC-27372;4-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine

Chemical Property of 4-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine

Chemical Property:

• Vapor Pressure: 1.98E-06mmHg at 25°C
• Boiling Point: 394.5°Cat760mmHg
• Flash Point: 192.4°C
• Density: 1.3g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 181.06736854
• Heavy Atom Count: 12
• Complexity: 164

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=NC(=NC2=C1CCC2)N

Technology Process of 4-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine

There total 5 articles about 4-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine 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:

4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine (5461-89-2) → 2-Amino-6,7-dihydro-4-methylthio-5H-cyclopentapyrimidin (7511-83-3)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol

2: water; methanol; NaOH

With methanol; sodium hydroxide; ethanol; water;

DOI:10.1021/ja01521a049

Reference yield:

2-amino-6,7-dihydro-3H-cyclopenta[d]pyrimidin-4(5H)-one (33081-06-0) → 2-Amino-6,7-dihydro-4-methylthio-5H-cyclopentapyrimidin (7511-83-3)

Guidance literature:

Multi-step reaction with 3 steps

1: POCl₃

2: ethanol

3: water; methanol; NaOH

With methanol; sodium hydroxide; ethanol; water; trichlorophosphate;

DOI:10.1021/ja01521a049

Reference yield:

2-ethoxycarbonyl-1-cyclopentanone (611-10-9) → 2-Amino-6,7-dihydro-4-methylthio-5H-cyclopentapyrimidin (7511-83-3)

Guidance literature:

Multi-step reaction with 4 steps

1: ethanol

2: POCl₃

3: ethanol

4: water; methanol; NaOH

With methanol; sodium hydroxide; ethanol; water; trichlorophosphate;

DOI:10.1021/ja01521a049

upstream raw materials:

2-amino-3,5,6,7-tetrahydro-cyclopentapyrimidine-4-thione

dimethyl sulfate

4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine

2-amino-6,7-dihydro-3H-cyclopenta[d]pyrimidin-4(5H)-one

Downstream raw materials:

(5-Methylsulfanyl-7,8-dihydro-6H-cyclopenta[e]imidazo[1,2-a]pyrimidin-2-yl)-phenyl-methanone

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