Orotic acid, 1,3-dimethyl-, methyl ester

Base Information

• Chemical Name: Orotic acid, 1,3-dimethyl-, methyl ester
• CAS No.: 4116-39-6
• Molecular Formula: C8H10N2O4
• Molecular Weight: 198.17600
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID60339666
• Nikkaji Number: J109.162J
• Wikidata: Q82108866
• Mol file: 4116-39-6.mol

Synonyms:Orotic acid, 1,3-dimethyl-, methyl ester;4116-39-6;methyl 1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylate;4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, methyl ester;methyl 1,3-dimethylorotate;DTXSID60339666;1,3-Dimethylorotic acid methyl ester;Methyl 1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate;1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-6-carboxylic acid methyl ester;Methyl 1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylate #

Chemical Property of Orotic acid, 1,3-dimethyl-, methyl ester

Chemical Property:

• PSA: 70.30000
• LogP: -1.12940
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 198.06405680
• Heavy Atom Count: 14
• Complexity: 334

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=CC(=O)N(C1=O)C)C(=O)OC

Technology Process of Orotic acid, 1,3-dimethyl-, methyl ester

There total 5 articles about Orotic acid, 1,3-dimethyl-, methyl ester 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: 95.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + orotic acid (65-86-1,58915-47-2,6784-70-9) → 1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-6-carbonsaeuremethylester (4116-39-6)

Guidance literature:

In methanol; diethyl ether; at 0 ℃;

DOI:10.1016/S0040-4020(01)87190-8

Reference yield:

methanol (67-56-1) + 1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carbonyl chloride → 1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-6-carbonsaeuremethylester (4116-39-6)

Guidance literature:

for 0.5h; Heating;

Reference yield:

methanol (67-56-1) + 1,3-dimethylorotic acid (4116-38-5) → 1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-6-carbonsaeuremethylester (4116-39-6)

Guidance literature:

With thionyl chloride; for 17h; Heating;

DOI:10.1021/ja993392m

upstream raw materials:

diazomethane

orotic acid

methanol

1,3-dimethylorotic acid

Downstream raw materials:

5-(2,6-Dichloro-phenyl)-1,3-dimethyl-1H-pyrimido[5,4-d][1,2]oxazine-2,4,8-trione

1,3-Dimethyl-6-[2-((R)-toluene-4-sulfinyl)-acetyl]-1H-pyrimidine-2,4-dione

1,3-Dimethyl-6-[2-((S)-toluene-4-sulfinyl)-acetyl]-1H-pyrimidine-2,4-dione

6-((S)-1-Hydroxy-2-p-tolylsulfanyl-ethyl)-1,3-dimethyl-1H-pyrimidine-2,4-dione

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