2-(1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl 4-(diethylamino)-4-oxobutyrate

Base Information

Chemical Name:2-(1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl 4-(diethylamino)-4-oxobutyrate
CAS No.:12712-75-3
Molecular Formula:C17H25 N5 O5
Molecular Weight:379.416
Hs Code.:
European Community (EC) Number:235-781-9
DSSTox Substance ID:DTXSID60155409
Nikkaji Number:J309.150C
Wikidata:Q83023314
Mol file:12712-75-3.mol

Synonyms:12712-75-3;EINECS 235-781-9;2-(1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl 4-(diethylamino)-4-oxobutyrate;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 4-(diethylamino)-4-oxobutanoate;SCHEMBL6743410;DTXSID60155409;4-Diethylamino-4-oxobutanoic acid 2-[(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin)-7-yl]ethyl ester

Suppliers and Price of 2-(1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl 4-(diethylamino)-4-oxobutyrate

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
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price

Total 7 raw suppliers

Chemical Property of 2-(1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl 4-(diethylamino)-4-oxobutyrate

Chemical Property:

Vapor Pressure:8.83E-15mmHg at 25°C
Boiling Point:609.1°Cat760mmHg
Flash Point:322.2°C
PSA：108.43000
Density:1.31g/cm³
LogP:-0.37450
XLogP3:-0.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:379.18556891
Heavy Atom Count:27
Complexity:594

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN(CC)C(=O)CCC(=O)OCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

Technology Process of 2-(1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl 4-(diethylamino)-4-oxobutyrate

There total 3 articles about 2-(1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl 4-(diethylamino)-4-oxobutyrate 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:

: 80416-57-5
succinic acid mono-[2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-ethyl ester]

: 12712-75-3
N,N-diethyl-succinamic acid-[2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-ethyl ester]

Guidance literature:: With thionyl chloride; chloroform; und anschliessend mit Diaethylamin in CHCl₃;

Reference yield:

: 519-37-9
7-(2-hydroxyethyl)theophylline

: 12712-75-3
N,N-diethyl-succinamic acid-[2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-ethyl ester]

Guidance literature:: With pyridine; chloroform;

Reference yield:

: 519-37-9
7-(2-hydroxyethyl)theophylline

: 12712-75-3
N,N-diethyl-succinamic acid-[2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-ethyl ester]

Guidance literature:: Multi-step reaction with 2 steps

1: benzene; pyridine

2: SOCl₂; CHCl₃ / und anschliessend mit Diaethylamin in CHCl₃

With pyridine; thionyl chloride; chloroform; benzene;