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HomeProduct name list4-Amino-5-aminomethyl-2-methylpyrimidine

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
4-Amino-5-aminomethyl-2-methylpyrimidine  Structural

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].
4-AMINO-5-AMINOMETHYL-2-METHYLPYRIMIDINE, DIHYDROCHLORIDE

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)
ghs
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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