1,3-DIMETHYLTHYMINE

Base Information

• Chemical Name: 1,3-DIMETHYLTHYMINE
• CAS No.: 4401-71-2
• Molecular Formula: C7H10N2O2
• Molecular Weight: 154.169
• Mol file: 4401-71-2.mol

Synonyms:Uracil,1,3,5-trimethyl- (6CI,7CI,8CI);1,3,5-Trimethyluracil;1,3-Dimethylthymine;N,N'-Dimethylthymine;N1,N3-Dimethylthymine;

Chemical Property of 1,3-DIMETHYLTHYMINE

Chemical Property:

• Vapor Pressure: 0.104mmHg at 25°C
• Melting Point: 153 °C
• Refractive Index: 1.507
• Boiling Point: 222.1 °C at 760 mmHg
• PKA: -2.00±0.40(Predicted)
• Flash Point: 87.8 °C
• PSA: 44.00000
• Density: 1.16 g/cm³
• LogP: -0.60760
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

1,3,5-Trimethylpyrimidine-2,4(1H,3H)-dione 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1,3-DIMETHYLTHYMINE

There total 13 articles about 1,3-DIMETHYLTHYMINE 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: 59.0%

4-methoxy-5-methyl-pyrimidin-2(1H)-one (25902-89-0) + dimethyl sulfate (77-78-1) → 1-methylthymine (4160-72-9) + 1,3-dimethylthymine (4401-71-2) + 2,4-Dimethoxy-5-methylpyrimidine (5151-34-8) + 4-methoxy-1,5-dimethyl-2(1H)-pyrimidinone (25902-87-8)

Guidance literature:

4-methoxy-5-methyl-pyrimidin-2(1H)-one; With lithium hydride; In N,N-dimethyl-formamide; at 60 ℃; for 0.5h;

dimethyl sulfate; In N,N-dimethyl-formamide; at 60 ℃; for 48h;

DOI:10.1016/j.tet.2006.04.098

Reference yield: 57.0%

5-bromo-1,3-dimethyluracil (7033-39-8) + trimethylaluminum (75-24-1) → 1,3-dimethyluracil (874-14-6,156398-76-4) + 1,3-dimethylthymine (4401-71-2)

Guidance literature:

(PPh₄)Pd; In tetrahydrofuran; for 16h; Heating;

DOI:10.1055/s-1993-25833

Reference yield: 33.0%

trimethylaluminum (75-24-1) + 5-chloro-1,3-dimethyluracil (31217-00-2) → 1,3-dimethyluracil (874-14-6,156398-76-4) + 1,3-dimethylthymine (4401-71-2)

Guidance literature:

(PPh₄)Pd; In tetrahydrofuran; for 30h; Heating;

DOI:10.1055/s-1993-25833

upstream raw materials:

5-bromo-1,3-dimethyluracil

trimethylaluminum

5-chloro-1,3-dimethyluracil

5-uracilylmethylenepyridinium chloride

Downstream raw materials:

5-hydroxy-1,3,5-trimethyl-pyrimidine-2,4,6-trione

1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid

cis-1,3,5-dimethyl-5,6-dihydroxy-5,6-dihydrouracil

1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidine-5-carbaldehyde

Refernces

• 1、 Ohkura, Kazue,Kudo, Mikiko,Ishihara, Tetsuya,Nishijima, Ken-ichi,Seki, Koh-ichi. "Photochemical synthesis of benzopyrimidosemibullvalenesfrom benzopyrimidobarrelenes". . p. 2583 - 2586. Retrieved 2007/10/03.
• 2、 Prakash, Gautam,Falvey, Daniel E.. "Model studies of the (6-4) photoproduct DNA photolyase: Synthesis and photosensitized splitting of a thymine-5,6-oxetane". . p. 11375 - 11376. Retrieved 2007/10/03.