6-ethylsulfanyl-7H-purin-2-amine

Base Information

• Chemical Name: 6-ethylsulfanyl-7H-purin-2-amine
• CAS No.: 63071-69-2
• Molecular Formula: C7H9N5S
• Molecular Weight: 195.2449
• NSC Number: 34477
• DSSTox Substance ID: DTXSID20392313

Synonyms:63071-69-2;6-ethylsulfanyl-7H-purin-2-amine;SCHEMBL4110629;SCHEMBL16758710;SCHEMBL21755893;DTXSID20392313;NSC34477;NSC-34477;AKOS006278907

Chemical Property of 6-ethylsulfanyl-7H-purin-2-amine

Chemical Property:

• Vapor Pressure: 3.79E-05mmHg at 25°C
• Boiling Point: 352.6°Cat760mmHg
• Flash Point: 167.1°C
• Density: 1.66g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 195.05786648
• Heavy Atom Count: 13
• Complexity: 178

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC1=NC(=NC2=C1NC=N2)N

Technology Process of 6-ethylsulfanyl-7H-purin-2-amine

There total 3 articles about 6-ethylsulfanyl-7H-purin-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: 49.0%

2-Amino-6-chloropurin (10310-21-1) + ethanethiol (75-08-1) → 2-amino-6-ethylthiopurine (63071-69-2)

Guidance literature:

ethanethiol; With potassium tert-butylate; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

2-Amino-6-chloropurin; In N,N-dimethyl-formamide; for 16h; Reflux; Sealed tube;

DOI:10.1002/cbic.201600245

Reference yield:

ethyl bromide (74-96-4) + thioguanin (154-42-7) → 6-ethylmercapto-7(9)H-purin-2-ylamine (63071-69-2)

Guidance literature:

With sodium hydroxide; at 120 ℃;

DOI:10.1021/ja01517a030

Reference yield:

→ 2-amino-6-ethylthiopurine (63071-69-2)

Guidance literature:

6-Aethylthio-2.4.5-triaminopyrimidin, Orthoameisensaeureaethylester, Acetanhydrid (sied.);

DOI:10.1021/ja01495a060

upstream raw materials:

ethyl bromide

thioguanin

2-Amino-6-chloropurin

ethanethiol

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