ChemicalBook > CAS DataBase List > Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate

Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate

Product Name
Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate
CAS No.
3641-14-3
Chemical Name
Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate
Synonyms
Asciminib Impurity 21;5-AMINO-1H-1 2 4-TRIAZOLE-3-CARBOXYLIC;3-Amino-5-(methoxycarbonyl)-1,2,4-triazole;Methyl 5-aMino-1,2,4-triazole-3-carboxylate;Methyl 3-aMino-1,2,4-triazole-5-carboxylate;ethyl 5-aMino-1H-1,2,4-triazole-3-carboxylate;Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate;Methyl 5-aMino-2H-1,2,4-triazole-3-carboxylate;methyl 3-azanyl-1H-1,2,4-triazole-5-carboxylate;2,4-triazole-3-carboxylicacid,5-amino-1h-methylester
CBNumber
CB4498603
Molecular Formula
C4H6N4O2
Formula Weight
142.12
MOL File
3641-14-3.mol
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Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate Property

Melting point:
218-222 °C (lit.)
Boiling point:
379.0±25.0 °C(Predicted)
Density 
1.505±0.06 g/cm3(Predicted)
storage temp. 
Keep in dark place,Sealed in dry,Room Temperature
pka
8.92±0.40(Predicted)
form 
Crystalline Powder
color 
White
InChI
InChI=1S/C4H6N4O2/c1-10-3(9)2-6-4(5)8-7-2/h1H3,(H3,5,6,7,8)
InChIKey
MGRNUMFYRVKLEO-UHFFFAOYSA-N
SMILES
N1C(N)=NC(C(OC)=O)=N1
CAS DataBase Reference
3641-14-3(CAS DataBase Reference)
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Safety

Hazard Codes 
Xi
Risk Statements 
43
Safety Statements 
36/37
WGK Germany 
3
HazardClass 
IRRITANT
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H317May cause an allergic skin reaction

Precautionary statements

P280Wear protective gloves/protective clothing/eye protection/face protection.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
573787
Product name
5-Amino-1H-[1,2,4]-triazole-3-carboxylic acid methyl ester
Purity
96%
Packaging
1g
Price
$47.18
Updated
2025/07/31
TRC
Product number
M328680
Product name
Methyl5-amino-1h-1,2,4-triazole-3-carboxylate
Packaging
100mg
Price
$45
Updated
2021/12/16
TRC
Product number
M328680
Product name
Methyl5-amino-1h-1,2,4-triazole-3-carboxylate
Packaging
500mg
Price
$65
Updated
2021/12/16
Usbiological
Product number
455626
Product name
Methyl 5-amino-1h-1,2,4-triazole-3-carboxylate
Packaging
100mg
Price
$305
Updated
2021/12/16
Ark Pharm
Product number
P000051018
Product name
Methyl 5-Amino-1,2,4-triazole-3-carboxylate
Purity
95%
Packaging
1g
Price
$6
Updated
2021/12/16
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Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate Chemical Properties,Usage,Production

Synthesis

67-56-1

3641-13-2

3641-14-3

To a solution of 5-amino-1H-1,2,4-triazole-3-carboxylic acid (3.9 g, 30.45 mmol) in methanol (100 mL) was slowly added thionyl chloride (SOCl2, 12 g, 100.84 mmol). The reaction mixture was stirred at 70 °C for 48 hours. Upon completion of the reaction, the mixture was concentrated under reduced pressure to remove the solvent. The residue was dissolved in water (100 mL) and the pH was adjusted with saturated sodium bicarbonate (NaHCO3) solution to 8. Subsequently, the aqueous phase was extracted with dichloromethane (3 x 50 mL). The organic layers were combined, dried with anhydrous magnesium sulfate, filtered and concentrated under reduced pressure to afford methyl 5-amino-1H-1,2,4-triazole-3-carboxylate as a white solid (800 mg, 65% yield). The product was confirmed by LC/MS (ES, m/z): [M + H]+ 143.0. 1H NMR (300 MHz, DMSO-d6): δ 3.85 (s, 3H).

References

[1] Chemical and Pharmaceutical Bulletin, 2004, vol. 52, # 2, p. 192 - 198
[2] Russian Journal of Applied Chemistry, 2006, vol. 79, # 5, p. 783 - 786
[3] Patent: WO2014/66743, 2014, A1. Location in patent: Paragraph 0146

Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate Preparation Products And Raw materials

Raw materials

Preparation Products

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Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate Suppliers

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View Lastest Price from Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate manufacturers

Shaanxi Dideu Medichem Co. Ltd
Product
Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate 3641-14-3
Price
US $1.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
20t
Release date
2024-07-15
Zhuozhou Wenxi import and Export Co., Ltd
Product
Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate 3641-14-3
Price
US $15.00-10.00/KG
Min. Order
1KG
Purity
99%+ HPLC
Supply Ability
Monthly supply of 1 ton
Release date
2021-07-11

3641-14-3, Methyl 5-amino-1H-1,2,4-triazole-3-carboxylateRelated Search:

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