5-(3,4,5-Trimethoxybenzoyl)-2,4-pyrimidinediamine

Base Information

Chemical Name:5-(3,4,5-Trimethoxybenzoyl)-2,4-pyrimidinediamine
CAS No.:30806-86-1
Molecular Formula:C14H16 N4 O4
Molecular Weight:304.305
Hs Code.:2933599090
European Community (EC) Number:641-682-5
UNII:P56X2RU9WP
DSSTox Substance ID:DTXSID601017795
Nikkaji Number:J331.229A
Wikidata:Q27286195
Mol file:30806-86-1.mol

Synonyms:30806-86-1;5-(3,4,5-Trimethoxybenzoyl)-2,4-pyrimidinediamine;Trimethoprim Impurity B;Keto trimethoprim;(2,4-Diaminopyrimidin-5-yl)(3,4,5-trimethoxyphenyl)methanone;(2,4-Diaminopyrimidin-5-yl)-(3,4,5-trimethoxyphenyl)methanone;RO-20-0570/002;P56X2RU9WP;Methanone, (2,4-diamino-5-pyrimidinyl)(3,4,5-trimethoxyphenyl)-;UNII-P56X2RU9WP;Trimethoprim impurity B [EP];DTXSID601017795;BCP26120;NS00040755;TRIMETHOPRIM IMPURITY B [EP IMPURITY];2,4-diamino-5-(3,4,5-trimethoxybenzoyl)pyrimidine;Q27286195

Suppliers and Price of 5-(3,4,5-Trimethoxybenzoyl)-2,4-pyrimidinediamine

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

TRC
5-(3,4,5-Trimethoxybenzoyl)-2,4-pyrimidinediamine
50mg
$ 260.00

TRC
5-(3,4,5-Trimethoxybenzoyl)-2,4-pyrimidinediamine
25mg
$ 145.00

TRC
5-(3,4,5-Trimethoxybenzoyl)-2,4-pyrimidinediamine
10mg
$ 90.00

Sigma-Aldrich
Trimethoprim Related Compound B
25mg
$ 1260.00

Medical Isotopes, Inc.
5-(3,4,5-Trimethoxybenzoyl)-2,4-pyrimidinediamine
500 mg
$ 2200.00

Medical Isotopes, Inc.
5-(3,4,5-Trimethoxybenzoyl)-2,4-pyrimidinediamine
1 mg
$ 625.00

Total 13 raw suppliers

Chemical Property of 5-(3,4,5-Trimethoxybenzoyl)-2,4-pyrimidinediamine

Chemical Property:

PSA：124.04000
LogP:0.75800
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:304.11715500
Heavy Atom Count:22
Complexity:370

Purity/Quality:

99%, ^*data from raw suppliers

5-(3,4,5-Trimethoxybenzoyl)-2,4-pyrimidinediamine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC(=CC(=C1OC)OC)C(=O)C2=CN=C(N=C2N)N
Uses 5-(3,4,5-Trimethoxybenzoyl)-2,4-pyrimidinediamine, is a derivative of Trimethoprim (T795615), an antibacterial agent. 5-(3,4,5-Trimethoxybenzoyl)-2,4-pyrimidinediamine, is a possible potent and selective inhibitor targeting dihydrofolate reductase of C. hominis, used for the treatment of Cryptosporidiosis.

Technology Process of 5-(3,4,5-Trimethoxybenzoyl)-2,4-pyrimidinediamine

There total 4 articles about 5-(3,4,5-Trimethoxybenzoyl)-2,4-pyrimidinediamine 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: 71.0%

: 738-70-5
5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine

: 30806-86-1
2,4-diamino-5-(3,4,5-trimethoxybenzoyl)pyrimidine

Guidance literature:: With manganese(IV) oxide; at 120 ℃; for 8h;

Reference yield:

: 738-70-5
5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine

: 30806-86-1
2,4-diamino-5-(3,4,5-trimethoxybenzoyl)pyrimidine

: 92440-76-1
2-amino-4-hydroxy-5-(3,4,5-trimethoxybenzyl)pyrimidine

: 4-amino-2-hydroxy-5-(3,4,5-trimethoxybenzyl)pyrimidine

: 2,4-dihydroxy-5-(3,4,5-trimethoxybenzyl)pyrimidine

Guidance literature:: In water; Further byproducts given; Heating;
DOI:10.1002/jps.2600780418

Reference yield:

: 738-70-5
5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine

: 30806-86-1
2,4-diamino-5-(3,4,5-trimethoxybenzoyl)pyrimidine

: 29606-06-2
α-hydroxytrimethoprim

Guidance literature:: With peroxodisulfate ion; In aq. phosphate buffer; at 60 ℃; pH=7; Reagent/catalyst; Kinetics; Inert atmosphere;
DOI:10.1016/j.cclet.2021.02.062