6-Chloro-1-methyluracil

Base Information

• Chemical Name: 6-Chloro-1-methyluracil
• CAS No.: 31737-09-4
• Molecular Formula: C5H5 Cl N2 O2
• Molecular Weight: 160.56
• Hs Code.: 2933599090
• European Community (EC) Number: 817-921-6
• DSSTox Substance ID: DTXSID20185626
• Nikkaji Number: J1.199.322B
• Wikidata: Q83056688
• Mol file: 31737-09-4.mol

Synonyms:31737-09-4;6-Chloro-1-methyluracil;6-CHLORO-1-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE;6-chloro-1-methylpyrimidine-2,4-dione;Uracil, 6-chloro-1-methyl-;6-chloro-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione;6-Chloro-4-hydroxy-1-methylpyrimidin-2(1H)-one;2,4(1H,3H)-Pyrimidinedione, 6-chloro-1-methyl-;1-methyl-6-chlorouracil;6-chloro-1-methyl-2,4(1H,3H)-pyrimidinedione;77139-94-7;6-chloro-1-methyl-uracil;SCHEMBL2678032;DTXSID20185626;AOSGEKKSRYJBGW-UHFFFAOYSA-N;AMY19735;MFCD09753498;AKOS006326493;FD10605;SB57584;AS-57874;CS-0012623;FT-0699392;EN300-131609;A902448

Chemical Property of 6-Chloro-1-methyluracil

Chemical Property:

• Melting Point: 186 °C
• Boiling Point: °Cat760mmHg
• PKA: 8.36±0.40(Predicted)
• Flash Point: °C
• PSA: 55.12000
• Density: 1.51g/cm³
• LogP: 0.13930
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 160.0039551
• Heavy Atom Count: 10
• Complexity: 224

Purity/Quality:

97% ^*data from raw suppliers

6-Chloro-1-methyluracil ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=CC(=O)NC1=O)Cl
• Uses: 6-Chloro-1-methyluracil was used to develop new syntheses of alloxazine 5-oxides and fervenulin 4-oxides by the nitrative cyclization.

Technology Process of 6-Chloro-1-methyluracil

There total 3 articles about 6-Chloro-1-methyluracil 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: 76.2%

6-chlorouracil (4270-27-3) + methyl iodide (74-88-4) → 6-chloro-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione (31737-09-4)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 20 ℃; for 3h;

DOI:10.1021/acs.jmedchem.5b01930

Reference yield: 70.0%

C6H5ClN2O3 (1188497-82-6) + edaravone (89-25-8) → 1-phenyl-3-methyl-4-(1-phenyl-3-methyl-5-oxo-4-pyrazolylidene)methylene-5-pyrazolone (4702-90-3,190086-12-5) + 6-chloro-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione (31737-09-4)

Guidance literature:

With piperidine; In ethanol; at 20 ℃; for 0.666667h;

DOI:10.1055/s-0029-1217536

Reference yield:

→ 6-chloro-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione (31737-09-4)

Guidance literature:

upstream raw materials:

6-chlorouracil

methyl iodide

C₆H₅ClN₂O₃

edaravone

Downstream raw materials:

6-(4-methoxyanilino)-1-methyluracil

6-(N-phenylamino)-1-methyluracil

6-(4-bromoanilino)-1-methyluracil

1-methyl-6-methylamino-1H-pyrimidine-2,4-dione