6-(pyrrolidin-1-yl)-9H-purine

Base Information

• Chemical Name: 6-(pyrrolidin-1-yl)-9H-purine
• CAS No.: 1928-89-8
• Molecular Formula: C9H11 N5
• Molecular Weight: 189.22
• NSC Number: 518429
• DSSTox Substance ID: DTXSID30353874
• Nikkaji Number: J2.522.110I
• Wikidata: Q82131700
• ChEMBL ID: CHEMBL1520028
• Mol file: 1928-89-8.mol

Synonyms:6-(pyrrolidin-1-yl)-9H-purine;1928-89-8;6-pyrrolidin-1-yl-7H-purine;MLS000086553;1H-Purine, 6-(1-pyrrolidinyl)-;6-(PYRROLIDIN-1-YL)-7H-PURINE;SMR000015976;6-Pyrrolidinopurine;6-pyrrolidino-7H-purine;Oprea1_359681;Oprea1_624474;MLS000101235;REGID_for_CID_66062;cid_756690;IFLab1_002235;SCHEMBL9095851;6-(1-pyrrolidinyl)-7H-purine;CHEMBL1520028;REGID_for_CID_756690;BDBM37903;DTXSID30353874;IQSRNEOAVVBNGN-UHFFFAOYSA-N;HMS1418F13;HMS2434E13;BAA92889;NSC518429;STK944606;AKOS001428274;NSC-518429;EN300-63841;Z57745260

Chemical Property of 6-(pyrrolidin-1-yl)-9H-purine

Chemical Property:

• Vapor Pressure: 0.000442mmHg at 25°C
• Boiling Point: 315.3°Cat760mmHg
• Flash Point: 144.5°C
• Density: 1.55g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 189.10144537
• Heavy Atom Count: 14
• Complexity: 203

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C2=NC=NC3=C2NC=N3

Technology Process of 6-(pyrrolidin-1-yl)-9H-purine

There total 7 articles about 6-(pyrrolidin-1-yl)-9H-purine 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: 91.4%

pyrrolidine (123-75-1) + 6-chloro-7H-purine (87-42-3,111055-92-6) → 4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine (1928-89-8)

Guidance literature:

With triethylamine; In ethanol; at 80 ℃; for 6h;

DOI:10.1016/j.bmcl.2018.03.046

Reference yield: 91.0%

pyrrolidine (123-75-1) + 6-chloropurine (87-42-3) → 4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine (1928-89-8)

Guidance literature:

In water; at 100 ℃; for 0.0333333h; Microwave irradiation;

DOI:10.1016/j.tetlet.2013.11.102

Reference yield: 88.0%

pyrrolidine (123-75-1) + 5-amino-4-(cyanoformimidoyl)-1H-imidazole (81693-59-6) → 4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine (1928-89-8)

Guidance literature:

In acetonitrile; at 20 ℃; for 0.166667h;

DOI:10.1002/ejoc.200700416

upstream raw materials:

pyrrolidine

6-methylsulfonylpurine

6-chloropurine

5-amino-4-(cyanoformimidoyl)-1H-imidazole

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