9H-Purine-9-acetic acid, 6-(benzoylamino)-, ethyl ester

Base Information

Chemical Name:9H-Purine-9-acetic acid, 6-(benzoylamino)-, ethyl ester
CAS No.:171406-46-5
Molecular Formula:C16H15N5O3
Molecular Weight:325.327
Hs Code.:
DSSTox Substance ID:DTXSID00475754
Wikidata:Q82306522
Mol file:171406-46-5.mol

Synonyms:171406-46-5;Ethyl 2-(6-benzamido-9H-purin-9-yl)acetate;9H-Purine-9-acetic acid, 6-(benzoylamino)-, ethyl ester;SCHEMBL8646398;DTXSID00475754;UNELGEAKTHZXBR-UHFFFAOYSA-N;N6-Benzoyl-9-ethoxycarbonylmethyladenine

Suppliers and Price of 9H-Purine-9-acetic acid, 6-(benzoylamino)-, ethyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of 9H-Purine-9-acetic acid, 6-(benzoylamino)-, ethyl ester

Chemical Property:

XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:325.11748936
Heavy Atom Count:24
Complexity:455

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CN1C=NC2=C(N=CN=C21)NC(=O)C3=CC=CC=C3

Technology Process of 9H-Purine-9-acetic acid, 6-(benzoylamino)-, ethyl ester

There total 4 articles about 9H-Purine-9-acetic acid, 6-(benzoylamino)-, ethyl ester 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: 47.0%

: 105-36-2
ethyl bromoacetate

: 4005-49-6
N-benzoyladenine

: 171406-46-5
6-N-(benzoyl)-9-(ethoxycarbonylmethyl)adenine

Guidance literature:: With potassium fluoride; natural phosphate; In acetonitrile; for 4h; Heating;
DOI:10.1081/NCN-120019491

Reference yield:

: 66224-66-6,66224-67-7,66224-68-8,66224-69-9,134434-48-3,134434-49-4,134454-76-5,134461-75-9
adenine

: 171406-46-5
6-N-(benzoyl)-9-(ethoxycarbonylmethyl)adenine

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) (Me₃Si)2NK / 1.) DMF, 20 deg C, 1 h, 2.) DMF, 20 deg C, 8 h

2: pyridine / a) 20 deg C, 3 h, b) 50 deg C, 1 h

With pyridine; potassium hexamethylsilazane;

Reference yield:

: 98-88-4
benzoyl chloride

: 171406-46-5
6-N-(benzoyl)-9-(ethoxycarbonylmethyl)adenine

Guidance literature:: Multi-step reaction with 2 steps

1: isopropyl alcohol; pyridine

2: sodium hydride / N,N-dimethyl-formamide

With sodium hydride; In pyridine; N,N-dimethyl-formamide; isopropyl alcohol;