3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanamide

Base Information

Chemical Name:3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanamide
CAS No.:5438-72-2
Molecular Formula:C11H15N5O3
Molecular Weight:265.2685
Hs Code.:
NSC Number:14375
DSSTox Substance ID:DTXSID90279869
Wikidata:Q82012766

Synonyms:5438-72-2;NSC 14375;NSC14375;8-Caffeinepropionamide;3-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanamide;DTXSID90279869;NSC-14375

Suppliers and Price of 3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanamide

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 5 raw suppliers

Chemical Property of 3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanamide

Chemical Property:

Vapor Pressure:8.6E-14mmHg at 25°C
Boiling Point:587.7°Cat760mmHg
Flash Point:309.2°C
Density:1.5g/cm³
XLogP3:-0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:265.11748936
Heavy Atom Count:19
Complexity:427

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CCC(=O)N

Technology Process of 3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanamide

There total 5 articles about 3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanamide 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:

: 857401-41-3
3-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-propionyl chloride

: 5438-72-2
3-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-propionic acid amide

Guidance literature:: With ammonia; water;

Reference yield:

: 4921-50-0
caffeine-8-carbaldehyde

: 5438-72-2
3-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-propionic acid amide

Guidance literature:: Multi-step reaction with 5 steps

2: quinoline

3: Raney nickel; aq. NaOH solution / Hydrogenation

4: benzene; SOCl₂

5: water; NH₃

With quinoline; sodium hydroxide; thionyl chloride; ammonia; water; nickel; benzene;

Reference yield:

: 149981-33-9
(E)-3-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)acrylic acid

: 5438-72-2
3-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-propionic acid amide

Guidance literature:: Multi-step reaction with 3 steps

1: Raney nickel; aq. NaOH solution / Hydrogenation

2: benzene; SOCl₂

3: water; NH₃

With sodium hydroxide; thionyl chloride; ammonia; water; nickel; benzene;