5-(3,4,5-Trimethoxybenzyl)pyrimidine-2,4-diol

Base Information

Chemical Name:5-(3,4,5-Trimethoxybenzyl)pyrimidine-2,4-diol
CAS No.:93885-69-9
Molecular Formula:C14H16N2O5
Molecular Weight:292.291
Hs Code.:
European Community (EC) Number:641-683-0
UNII:M3GJ6V2MMZ
Nikkaji Number:J331.230E
Mol file:93885-69-9.mol

Synonyms:5-(3,4,5-Trimethoxybenzyl)pyrimidine-2,4-diol;93885-69-9;5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione;5-[(3,4,5-Trimethoxyphenyl)methyl]-2,4(1H,3H)-pyrimidinedione;starbld0007173;M3GJ6V2MMZ;5-(3,4,5-Trimethoxybenzyl)pyrimidin-2,4-diol;2,4(1H,3H)-Pyrimidinedione, 5-[(3,4,5-trimethoxyphenyl)methyl]-

Suppliers and Price of 5-(3,4,5-Trimethoxybenzyl)pyrimidine-2,4-diol

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-Trimethoxybenzyl)pyrimidine-2,4-diol
25mg
$ 165.00

Medical Isotopes, Inc.
5-(3,4,5-Trimethoxybenzyl)pyrimidine-2,4-diol
25 mg
$ 650.00

Total 9 raw suppliers

Chemical Property of 5-(3,4,5-Trimethoxybenzyl)pyrimidine-2,4-diol

Chemical Property:

PSA：93.41000
Density:1.253
LogP:0.67980
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:292.10592162
Heavy Atom Count:21
Complexity:423

Purity/Quality:

99%, ^*data from raw suppliers

5-(3,4,5-Trimethoxybenzyl)pyrimidine-2,4-diol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC(=CC(=C1OC)OC)CC2=CNC(=O)NC2=O
Uses 5-(3,4,5-Trimethoxybenzyl)pyrimidine-2,4-diol is an impurity of Trimethoprim(T795615), an antibacterial agent.

Technology Process of 5-(3,4,5-Trimethoxybenzyl)pyrimidine-2,4-diol

There total 3 articles about 5-(3,4,5-Trimethoxybenzyl)pyrimidine-2,4-diol 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: 87.0%

: 910859-94-8
2,4-di-tert-butoxy-5-(3,4,5-trimethoxybenzyl)pyrimidine

: 93885-69-9
5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4(1H,3H)-dione

Guidance literature:: With hydrogenchloride; In methanol; at 20 ℃; for 0.25h;
DOI:10.1021/ol0616790

Reference yield:

: 910859-93-7
diethyl 3,4,5-trimethoxybenzyl phosphate

: 93885-69-9
5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4(1H,3H)-dione

Guidance literature:: Multi-step reaction with 2 steps

1.1: i-PrMgCl*LiCl / tetrahydrofuran; 1,2-dimethoxy-ethane / 4 h / 0 °C

1.2: CuBr; P(OEt)3 / 1,2-dimethoxy-ethane; tetrahydrofuran / 0.17 h / -15 °C

1.3: 81 percent / tetrabutylammonium iodide / tetrahydrofuran; 1,2-dimethoxy-ethane / 1.5 h / 60 °C

2.1: 87 percent / aq. HCl / methanol / 0.25 h / 20 °C

With hydrogenchloride; TurboGrignard; In tetrahydrofuran; methanol; 1,2-dimethoxyethane;
DOI:10.1021/ol0616790

Reference yield:

: 3840-31-1
(3,4,5-trimethoxyphenyl)methanol

: 93885-69-9
5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4(1H,3H)-dione

Guidance literature:: Multi-step reaction with 3 steps

1.1: 83 percent / DMAP; Et₃N / tetrahydrofuran / 4 h / 20 °C

2.1: i-PrMgCl*LiCl / tetrahydrofuran; 1,2-dimethoxy-ethane / 4 h / 0 °C

2.2: CuBr; P(OEt)3 / 1,2-dimethoxy-ethane; tetrahydrofuran / 0.17 h / -15 °C

2.3: 81 percent / tetrabutylammonium iodide / tetrahydrofuran; 1,2-dimethoxy-ethane / 1.5 h / 60 °C

3.1: 87 percent / aq. HCl / methanol / 0.25 h / 20 °C

With hydrogenchloride; dmap; TurboGrignard; triethylamine; In tetrahydrofuran; methanol; 1,2-dimethoxyethane;
DOI:10.1021/ol0616790