6-Ethoxypurine

Base Information

• Chemical Name: 6-Ethoxypurine
• CAS No.: 17861-06-2
• Molecular Formula: C7H8N4O
• Molecular Weight: 164.167
• Hs Code.: 2933990090
• European Community (EC) Number: 241-813-2
• NSC Number: 19074
• UNII: ZKE4MT86VP
• DSSTox Substance ID: DTXSID20170517
• Nikkaji Number: J260.770K
• Wikidata: Q83040432
• ChEMBL ID: CHEMBL4642722
• Mol file: 17861-06-2.mol

Synonyms:6-Ethoxypurine;6-ethoxy-7H-purine;17861-06-2;Purine, 6-ethoxy-;6-Ethoxy-1H-purine;1H-Purine, 6-ethoxy-;6-ethoxy-9H-purine;NSC 19074;1H-Purine, 6-ethoxy- (9CI);EINECS 241-813-2;ZKE4MT86VP;NSC-19074;9H-Purine, 6-ethoxy-;9H-Purine,6-ethoxy-;UNII-ZKE4MT86VP;SCHEMBL3388862;CHEMBL4642722;DTXSID20170517;NSC19074;AKOS003621275;BS-21845;LS-127087;CS-0448466;FT-0769564;A919931

Chemical Property of 6-Ethoxypurine

Chemical Property:

• Boiling Point: 427.6 °C at 760 mmHg
• Flash Point: 154.2 °C
• PSA: 63.69000
• Density: 1.345 g/cm³
• LogP: 0.75160
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 164.06981089
• Heavy Atom Count: 12
• Complexity: 154

Purity/Quality:

99% ^*data from raw suppliers

6-Ethoxypurine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=NC=NC2=C1NC=N2

Technology Process of 6-Ethoxypurine

There total 5 articles about 6-Ethoxypurine 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: 99.0%

sodium ethanolate (141-52-6) + 6-chloropurine (87-42-3) → 6-ethoxy-9H-purine (17861-06-2)

Guidance literature:

In 1-methyl-pyrrolidin-2-one; at 100 ℃; for 0.0333333h; microwave irradiation;

DOI:10.1016/j.tet.2007.02.124

Reference yield: 90.0%

ethanol (64-17-5) + 6-chloropurine (87-42-3) → 6-ethoxy-9H-purine (17861-06-2)

Guidance literature:

With sodium ethanolate; for 18h; Heating;

DOI:10.1002/(SICI)1522-2675(19981216)81:12<2244::AID-HLCA2244>3.0.CO;2-I

Reference yield: 34.0%

6-chloro-4,5-diaminopyrimidine (4316-98-7) + ethanol (64-17-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 6-ethoxy-9H-purine (17861-06-2)

Guidance literature:

With sodium hydride; at 95 ℃; for 24h;

DOI:10.1016/S0040-4020(02)00867-0

upstream raw materials:

sodium ethanolate

6-chloro-7H-purine

ethanol

6-chloropurine

Downstream raw materials:

9-<2-deoxy-3,5-di-O-(4-toluoyl)-β-D-erythro-pentofuranosyl>-6-ethoxy-9H-purine

7-<2-deoxy-3,5-di-O-(4-toluoyl)-β-D-erythro-pentofuranosyl>-6-ethoxy-7H-purine

Refernces

• 1、 Baraldi, Pier Giovanni,Broceta, Asier Unciti,Infantas, Maria Josè Pineda De Las,Mochun, Juan Josè Dìaz,Espinosa, Antonio,Romagnoli, Romeo. "An efficient one-pot synthesis of 6-alkoxy-8,9-dialkylpurines via reaction of 5-amino-4-chloro-6-alkylaminopyrimidines with N,N-dimethylalkaneamides and alkoxide ions". . p. 7607 - 7611. Retrieved 2007/10/03.