4-Amino-5-aminomethyl-2-methylpyrimidine
- CAS NO.:95-02-3
- Empirical Formula: C6H10N4
- Molecular Weight: 138.17
- MDL number: MFCD00058194
- EINECS: 202-384-7
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-14 19:04:07
What is 4-Amino-5-aminomethyl-2-methylpyrimidine ?
Chemical properties
Off-White Solid
The Uses of 4-Amino-5-aminomethyl-2-methylpyrimidine
Substrate for TenA enzyme in the thiamin salvage pathway
What are the applications of Application
4-Amino-5-aminomethyl-2-methylpyrimidine is A substrate for the enzyme TenA in the thiamin salvage pathway
Definition
ChEBI: An aminopyrimidine compound having its amino substituent at the 4-position together with methyl and aminomethyl substituents at the 2- and 5-positions respectively.
Synthesis
In an autoclave, the mixture of 4-Amino-5-aminomethyl-2-methylpyrimidine (2.0 kg, 15 mol), modified Raney nickel (wet weight 300 g), and saturated methanol solution of ammonia (20 L) was heated to 100 ℃ and stirred for 5 h at this temperature under 4 MPa hydrogen pressure. Then, the mixture was cooled to room temperature and filtered; 4-Amino-5-aminomethyl-2-methyl pyrimidine was obtained as a white solid (2.0 kg, 98%) by concentrating the filtrate[1].
References
[1] Lei Zhao, Fen-Er Chen, Xiao-Dong Ma. “Development of Two Scalable Syntheses of 4-Amino-5-aminomethyl-2-methylpyrimidine: Key Intermediate for Vitamin B1.” Organic Process Research & Development 16 1 (2011): 57–60.
Properties of 4-Amino-5-aminomethyl-2-methylpyrimidine
Melting point: | 270-272°C |
Boiling point: | 121-125 °C |
Density | 1.207 |
vapor pressure | 0.012-0.019Pa at 20-25℃ |
storage temp. | -20°C Freezer |
solubility | DMSO (Slightly), Methanol (Slightly, Heated), Water (Slightly) |
form | Solid |
pka | 7.70±0.29(Predicted) |
color | Off-White to Beige |
PH | 10.65 at 20℃ and 10g/L |
InChI | InChI=1S/C6H10N4/c1-4-9-3-5(2-7)6(8)10-4/h3H,2,7H2,1H3,(H2,8,9,10) |
Safety information for 4-Amino-5-aminomethyl-2-methylpyrimidine
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H332:Acute toxicity,inhalation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P310:Immediately call a POISON CENTER or doctor/physician. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 4-Amino-5-aminomethyl-2-methylpyrimidine
InChIKey | OZOHTVFCSKFMLL-UHFFFAOYSA-N |
SMILES | C1(C)=NC=C(CN)C(N)=N1 |
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