1H-Purine-2,6-dione, 3,7-dihydro-7-((4-chlorophenyl)methyl)-1-methyl-3-(2-methylpropyl)-

Base Information

Chemical Name:1H-Purine-2,6-dione, 3,7-dihydro-7-((4-chlorophenyl)methyl)-1-methyl-3-(2-methylpropyl)-
CAS No.:58481-29-1
Molecular Formula:C17H19ClN4O2
Molecular Weight:346.8114
Hs Code.:
DSSTox Substance ID:DTXSID90207182
Nikkaji Number:J359.414I
Wikidata:Q83081079
ChEMBL ID:CHEMBL3272817

Synonyms:BRN 1170992;Xanthine, 7-(p-chlorobenzyl)-3-isobutyl-1-methyl-;1H-Purine-2,6-dione, 3,7-dihydro-7-((4-chlorophenyl)methyl)-1-methyl-3-(2-methylpropyl)-;3,7-Dihydro-7-((4-chlorophenyl)methyl)-1-methyl-3-(2-methylpropyl)-1H-purine-2,6-dione;58481-29-1;CHEMBL3272817;DTXSID90207182;LS-126649;1-Methyl-3-isobutyl-7-(4-chlorobenzyl)xanthine

Suppliers and Price of 1H-Purine-2,6-dione, 3,7-dihydro-7-((4-chlorophenyl)methyl)-1-methyl-3-(2-methylpropyl)-

Supply Marketing:

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

Manufacturers and distributors:

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Chemicals and raw materials
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Total 1 raw suppliers

Chemical Property of 1H-Purine-2,6-dione, 3,7-dihydro-7-((4-chlorophenyl)methyl)-1-methyl-3-(2-methylpropyl)-

Chemical Property:

Vapor Pressure:2.66E-11mmHg at 25°C
Boiling Point:529.6°Cat760mmHg
Flash Point:274.1°C
Density:1.33g/cm³
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:346.1196536
Heavy Atom Count:24
Complexity:493

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=C(C=C3)Cl

Technology Process of 1H-Purine-2,6-dione, 3,7-dihydro-7-((4-chlorophenyl)methyl)-1-methyl-3-(2-methylpropyl)-

There total 4 articles about 1H-Purine-2,6-dione, 3,7-dihydro-7-((4-chlorophenyl)methyl)-1-methyl-3-(2-methylpropyl)- 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:

: 58481-39-3
6-amino-1-isobutyl-3-methyl-1H-pyrimidine-2,4-dione

: 58481-29-1
7-(4-chloro-benzyl)-3-isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione

Guidance literature:: Multi-step reaction with 4 steps

1: NaNO₂, AcOH / H₂O / 2 h / Ambient temperature

2: Na₂S₂O₄, 25percent aq. NH₄OH / 20 - 50 °C

3: 2.) 2.2 M aq. NaOH / 1.) reflux, 2 h, 2.) reflux, 45 min

4: K₂CO₃ / dimethylformamide / 20 - 80 °C

With ammonium hydroxide; sodium hydroxide; sodium dithionite; potassium carbonate; acetic acid; sodium nitrite; In water; N,N-dimethyl-formamide;
DOI:10.1016/0223-5234(90)90130-U

Reference yield:

: 38014-54-9
1-isobutyl-3-methyl-urea

: 58481-29-1
7-(4-chloro-benzyl)-3-isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione

Guidance literature:: Multi-step reaction with 5 steps

1: 1.) acetic anhydride, 2.) 10percent aq. NaOH / 1.) 70 deg C, 2 h, 2.) from 20 to 70 deg C, 1 h

2: NaNO₂, AcOH / H₂O / 2 h / Ambient temperature

3: Na₂S₂O₄, 25percent aq. NH₄OH / 20 - 50 °C

4: 2.) 2.2 M aq. NaOH / 1.) reflux, 2 h, 2.) reflux, 45 min

5: K₂CO₃ / dimethylformamide / 20 - 80 °C

With ammonium hydroxide; sodium hydroxide; sodium dithionite; acetic anhydride; potassium carbonate; acetic acid; sodium nitrite; In water; N,N-dimethyl-formamide;
DOI:10.1016/0223-5234(90)90130-U

Reference yield:

: 78033-18-8
5,6-diamino-1-isobutyl-3-methyl-1H-pyrimidine-2,4-dione

: 58481-29-1
7-(4-chloro-benzyl)-3-isobutyl-1-methyl-3,7-dihydro-purine-2,6-dione

Guidance literature:: Multi-step reaction with 2 steps

1: 2.) 2.2 M aq. NaOH / 1.) reflux, 2 h, 2.) reflux, 45 min

2: K₂CO₃ / dimethylformamide / 20 - 80 °C

With sodium hydroxide; potassium carbonate; In N,N-dimethyl-formamide;
DOI:10.1016/0223-5234(90)90130-U