1,3-Dimethylorotic acid

Base Information

• Chemical Name: 1,3-Dimethylorotic acid
• CAS No.: 4116-38-5
• Molecular Formula: C7H8 N2 O4
• Molecular Weight: 184.152
• Hs Code.: 2933599090
• European Community (EC) Number: 801-960-0
• DSSTox Substance ID: DTXSID90407625
• Nikkaji Number: J987.519K
• Wikidata: Q82212939
• Mol file: 4116-38-5.mol

Synonyms:1,3-dimethylorotic acid

Chemical Property of 1,3-Dimethylorotic acid

Chemical Property:

• Vapor Pressure: 0.000157mmHg at 25°C
• Boiling Point: 308°Cat760mmHg
• Flash Point: 140.1°C
• PSA: 81.30000
• Density: 1.472g/cm³
• LogP: -1.21780
• Storage Temp.: 2-8°C
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 184.04840674
• Heavy Atom Count: 13
• Complexity: 321

Purity/Quality:

97% ^*data from raw suppliers

1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,3-Dimethylorotic acid

There total 6 articles about 1,3-Dimethylorotic acid 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: 75.0%

orotic acid (65-86-1,58915-47-2,6784-70-9) + dimethyl sulfate (77-78-1) → 1,3-dimethylorotic acid (4116-38-5)

Guidance literature:

With sodium hydroxide; In water; at 5 - 15 ℃;

DOI:10.1021/ja00387a047

Reference yield:

methyl orotate (6153-44-2) + dimethyl sulfate (77-78-1) → 1,3-dimethylorotic acid (4116-38-5)

Guidance literature:

With potassium hydroxide; at 20 ℃; for 2.5h;

Reference yield:

1,6-dimethylpyrimidine-2,4(1H,3H)-dione (1627-27-6) → 1,3-dimethylorotic acid (4116-38-5)

Guidance literature:

Multi-step reaction with 3 steps

1: water; K₃; NH₃

2: aqueous KOH

3: aq. NaOH solution

With potassium hydroxide; sodium hydroxide; ammonia; water; potassium hexacyanoferrate(III);

DOI:10.1016/0006-3002(57)90331-1

upstream raw materials:

3-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

dimethyl sulfate

methyl orotate

orotic acid

Downstream raw materials:

1,3-dimethyluracil

1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-6-carbonsaeuremethylester

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