2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl chloride

Base Information

• Chemical Name: 2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl chloride
• CAS No.: 3346-64-3
• Molecular Formula: C5H3 Cl N2 O3
• Molecular Weight: 174.543
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID40608024
• Wikidata: Q82507133
• Mol file: 3346-64-3.mol

Synonyms:3346-64-3;2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl chloride;orotyl chloride;2,4-dioxo-1H-pyrimidine-6-carbonyl chloride;orotoyl chloride;SCHEMBL122309;SCHEMBL12086579;DTXSID40608024;LEHYZRWBQXWKOY-UHFFFAOYSA-N;DA-30363;2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonylchloride

Chemical Property of 2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl chloride

Chemical Property:

• PKA: 4.25±0.10(Predicted)
• PSA: 83.31000
• Density: 1.602±0.06 g/cm3(Predicted)
• LogP: 0.26680
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 173.9832197
• Heavy Atom Count: 11
• Complexity: 271

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(NC(=O)NC1=O)C(=O)Cl

Technology Process of 2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl chloride

There total 4 articles about 2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl chloride 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: 96.0%

2,4-dihydroxypyrimidine-6-carboxylic acid (65-86-1) → Uracil-carbonsaeure-(6)-chlorid, Orotsaeure-chlorid (3346-64-3)

Guidance literature:

With trichlorophosphate; for 7h; Reflux;

Reference yield:

orotic acid (65-86-1,58915-47-2,6784-70-9) → 2,4-dioxo-1,2,3,4-tetrahydro-6-pyrimidinecarbonyl chloride (3346-64-3)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide;

DOI:10.3987/COM-05-S(T)6

Reference yield:

→ Uracil-carbonsaeure-(6)-chlorid, Orotsaeure-chlorid (3346-64-3)

Guidance literature:

Uracil-carbonsaeure-(6), SOCl2 (DMF);

DOI:10.1021/jm00339a030

upstream raw materials:

2,4-dihydroxypyrimidine-6-carboxylic acid

orotic acid

Downstream raw materials:

methyl orotate

C₈₃H₈₇N₃O₂₁

orotic acid dodecyl ester

3-{3-[2-(orotinoyloxy)-5-chloro-4-pyridyloxycarbonyl]benzoyl}-1-ethoxymethyl-5-fluorouracil

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