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696-04-8

Basic Information
CAS No.: 696-04-8
Name: DIHYDROTHYMINE
Article Data: 25
Molecular Structure:
Molecular Structure of 696-04-8 (DIHYDROTHYMINE)
Formula: C5H8N2O2
Molecular Weight: 128.131
Synonyms: 5-Methyl-5,6-dihydropyrimidine-2,4-dione
EINECS: 211-787-7
Density: 1.149 g/cm3
Melting Point: 263-265°C
Safety: 22-24/25
PSA: 58.20000
LogP: 0.11950
Synthetic route
590-28-3

potassium cyanate

88512-06-5

β-aminoisobutyric acid methyl ester hydrochloride

696-04-8

5,6-dihydrothymine

Conditions
ConditionsYield
Stage #1: potassium cyanate; β-aminoisobutyric acid methyl ester hydrochloride In water Milling; Green chemistry;
Stage #2: With caesium carbonate In water Green chemistry;
57%
65-71-4

thymin

696-04-8

5,6-dihydrothymine

Conditions
ConditionsYield
With hydrogen; 5% rhodium on alumina In water for 6h;56%
With sodium dihydrogenphosphate; water Irradiation;
With hydrogen
4433-40-3

5-hydroxymethyl uracil

696-04-8

5,6-dihydrothymine

Conditions
ConditionsYield
With Rh/Al2O3; acetic acid Hydrogenation;
80-62-6

methacrylic acid methyl ester

696-04-8

5,6-dihydrothymine

Conditions
ConditionsYield
With methanol at 135℃;
65-71-4

2,4-dihydroxy-5-methylpyrimidine

696-04-8

5,6-dihydrothymine

Conditions
ConditionsYield
With Rh/Al2O3; water Hydrogenation;
79-41-4

poly(methacrylic acid)

696-04-8

5,6-dihydrothymine

Conditions
ConditionsYield
at 210 - 220℃;
2905-86-4

3-ureido-2-methyl-propanoic acid

696-04-8

5,6-dihydrothymine

Conditions
ConditionsYield
With hydrogenchloride at 55 - 70℃; Kinetics;
1195-73-9

5-bromo-6-hydroxy-5,6-dihydrothymine

A

2417-22-3

5-methylbarbituric acid

B

65-71-4

thymin

C

13514-92-6

6-Hydroxydihydrothymine

D

696-04-8

5,6-dihydrothymine

Conditions
ConditionsYield
With sodium formate In water Mechanism; Irradiation; reaction in the presence of aromatic amine or inorganic reductant;A 15 % Turnov.
B 8 % Turnov.
C 19 % Turnov.
D n/a

A

2417-22-3

5-methylbarbituric acid

B

65-71-4

thymin

C

13514-92-6

6-Hydroxydihydrothymine

D

696-04-8

5,6-dihydrothymine

Conditions
ConditionsYield
With sodium formate; iron(II) sulfate In water Mechanism; Product distribution; Irradiation; different inorganic reductants, absence of reductants, adding aromatic amines; using alcohols as scavenger;A n/a
B n/a
C 14 % Turnov.
D n/a
65-71-4

thymin

A

871023-09-5

2-imino-3-(indol-3-yl)propanoic acid

B

696-04-8

5,6-dihydrothymine

Conditions
ConditionsYield
Irradiation;
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    Molecular Formula C5H8N2O2 Molecular Weight 128.13 CAS Registry Number 696-04-8 EINECS 211-787-7 Name5,6-Dihydro-5-met…

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Chemistry

Molecular Structure of 5,6-Dihydro-5-methyluracil (CAS NO.696-04-8):

IUPAC Name: 5-methyl-1,3-diazinane-2,4-dione 
Empirical Formula: C5H8N2O2
Molecular Weight: 128.1292
H bond acceptors: 4
}H bond donors: 2
Freely Rotating Bonds: 0
Polar Surface Area: 40.62 Å2
Index of Refraction: 1.452
Molar Refractivity: 30.11 cm3
Molar Volume: 111.5 cm3
Surface Tension: 32.1 dyne/cm
Density: 1.149 g/cm3
Melting point: 263-265°C
BRN: 81983
EINECS: 211-787-7
Product Categories: Nucleic acids
InChI
InChI=1/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)
Smiles
N1C([C@@H](C)CNC1=O)=O

Safety Profile

Safety Statements: 22-24/25
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes.

Specification

  5,6-Dihydro-5-methyluracil , with CAS number of 696-04-8, can be called 5,6-Dihydro-5-methyl-2,4 dioxypyrimidine ; 5,6-dihydro-5-methyluracil ; 5-methyl-dihydro-pyrimidine-2,4-dione ; 5-methyl-5,6-dihydrouracil ; dihydrothymine ; 2,4(1H,3H)-Pyrimidinedione, dihydro-5-methyl- ; 5,6-Dihydro-2,4-dihydroxy-5-methylpyrimidine .