2-(1H-Purin-6-ylamino)ethanol

Base Information

• Chemical Name: 2-(1H-Purin-6-ylamino)ethanol
• CAS No.: 4551-95-5
• Molecular Formula: C7H9 N5 O
• Molecular Weight: 179.181
• Hs Code.: 2933990090
• European Community (EC) Number: 224-920-9
• NSC Number: 11590
• UNII: 9AD2B660I3
• DSSTox Substance ID: DTXSID10196544
• Nikkaji Number: J236.689D
• Wikidata: Q27272272
• Pharos Ligand ID: K3DMAH75BL2B
• ChEMBL ID: CHEMBL454802
• Mol file: 4551-95-5.mol

Synonyms:4551-95-5;2-(1H-Purin-6-ylamino)ethanol;2-(7H-purin-6-ylamino)ethanol;N6-(2-HYDROXYETHYL)ADENINE;2-(9H-Purin-6-ylamino)ethanol;NSC11590;2-((9H-Purin-6-yl)amino)ethanol;NSC-11590;UNII-9AD2B660I3;9AD2B660I3;EINECS 224-920-9;Ethanol, 2-(1H-purin-6-ylamino)-;6-(BETA-HYDROXYETHYLAMINO)-PURINE;NCI60_000361;NCIStruc1_000083;NCIStruc2_000256;N6-(2-Hydroxy)Ethyladenine;Oprea1_506538;6-(2-hydroxyethylamino)purine;CHEMBL454802;IFLab1_002275;SCHEMBL7668696;6-.beta.-Hydroxyethylaminopurine;DTXSID10196544;HMS1418H09;6-(HYDROXYETHYLAMINO)PURINE;NCI11590;2-(9H-Purin-6-ylamino)ethanol #;CCG-37573;NCGC00013122;NSC 11590;STK944590;AKOS001443458;AKOS008968422;2-((3h-Purin-6-yl)amino)ethan-1-ol;2-[(9H-purin-6-yl)amino]ethan-1-ol;ETHANOL, 2-(PURIN-6-YLAMINO)-;NCGC00013122-02;NCGC00096243-01;CS-0266559;ETHANOL, 2-(9H-PURIN-6-YLAMINO)-;SR-01000641593-1;Q27272272;Z57745228

Chemical Property of 2-(1H-Purin-6-ylamino)ethanol

Chemical Property:

• Vapor Pressure: 2.24E-06mmHg at 25°C
• Boiling Point: 592.6°Cat760mmHg
• Flash Point: 312.2°C
• PSA: 86.72000
• Density: 1.557g/cm³
• LogP: -0.16990
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 179.08070993
• Heavy Atom Count: 13
• Complexity: 167

Purity/Quality:

99% ^*data from raw suppliers

6-(BETA-HYDROXYETHYLAMINO)-PURINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC2=C(N1)C(=NC=N2)NCCO

Technology Process of 2-(1H-Purin-6-ylamino)ethanol

There total 9 articles about 2-(1H-Purin-6-ylamino)ethanol 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: 96.0%

6-chloropurine (87-42-3) + 2-((trimethylsilyl)oxy)ethan-1-amine hydrochloride → N6-(2-hydroxyethyl)adenine (4551-95-5)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; potassium carbonate; In acetonitrile; at 80 ℃; for 24h; Reagent/catalyst; Solvent; Temperature; Inert atmosphere;

DOI:10.1002/jhet.2982

Reference yield: 89.5%

ethanolamine (141-43-5) + 6-chloropurine (87-42-3) → N6-(2-hydroxyethyl)adenine (4551-95-5)

Guidance literature:

In ethanol; for 6h; Heating;

DOI:10.1135/cccc20011545

Reference yield: 87.0%

ethanolamine (141-43-5) + 6-chloro-7H-purine (87-42-3,111055-92-6) → N6-(2-hydroxyethyl)adenine (4551-95-5)

Guidance literature:

In ethanol; for 6h; Reflux;

DOI:10.1021/jm9006356

upstream raw materials:

(7⁽⁹⁾H-purin-6-ylsulfanyl)-acetic acid

ethanolamine

6-chloro-7H-purine

6-(methylthio)-1H-purine

Downstream raw materials:

NSC 54251

hypoxanthine

Refernces

• 1、 -. "6-aminopurine ethyl-naphthylacetic acid ester compound and application thereof as plant growth regulator". Paragraph 0023; 0024; 0025. . Retrieved 2017/07/21.
• 2、 Borrmann, Thomas,Abdelrahman, Aliaa,Volpini, Rosaria,Lambertucci, Catia,Alksnis, Edgars,Gorzalka, Simone,Knospe, Melanie,Schiedel, Anke C.,Cristalli, Gloria,Müller, Christa E.. "Structure-activity relationships of adenine and deazaadenine derivatives as ligands for adenine receptors, a new purinergic receptor family". supporting information; experimental part. p. 5974 - 5989. Retrieved 2010/03/24.