| Identification | More | [Name]
ETHYL 5-AMINO-1-METHYLPYRAZOLE-4-CARBOXYLATE | [CAS]
31037-02-2 | [Synonyms]
5-AMINO-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
5-AMINO-1-METHYLPYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
AKOS B022231
ART-CHEM-BB B022231
BUTTPARK 23\09-41
ETHYL 5-AMINO-1-METHYL-1H-PYRAZOLE-4-CARBOXYLATE
ETHYL 5-AMINO-1-METHYLPYRAZOLE-4-CARBOXYLATE
TIMTEC-BB SBB005505
-Amino-1-methylpyrazole-4-carboxylic acid ethyl ester
Ethyl 1-methyl-5-aminopyrazole-4-carboxylate
H-Pyrazole-4-carboxylic acid, 5-amino-1-methyl-, ethyl ester
thyl 3-amino-1-methylpyrazole-4-carboxylate
thyl 5-amino-1-methyl-4-pyrazolecarboxylate
yrazole-4-carboxylic acid, 5-amino-1-methyl-, ethyl ester
ETHYL 5-AMINO-1-METHYL-1H-PYRAZOLE-4-CA&
5-Amino-1-methyl-1H-pyrazole-4-carboxylicacideth
ETHYL 3-AMINO-2-METHYLPYRAZOLE-4-CARBOXYLATE
ethyl-5-amino-1-methyl-1Hpyrazole carboxylate
3-Amino-2-methyl-2H-pyrazole-4-carboxylic acid ethyl ester | [EINECS(EC#)]
626-277-3 | [Molecular Formula]
C7H11N3O2 | [MDL Number]
MFCD00051652 | [Molecular Weight]
169.18 | [MOL File]
31037-02-2.mol |
| Chemical Properties | Back Directory | [Appearance]
yellow crystals or crystalline powder | [Melting point ]
96-100 °C | [Boiling point ]
121 °C(Press: 0.05 Torr) | [density ]
1.29±0.1 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [solubility ]
soluble in Methanol | [form ]
Crystals or Crystalline Powder | [pka]
2.03±0.10(Predicted) | [color ]
Yellow | [Sensitive ]
Hygroscopic | [λmax]
257nm(EtOH)(lit.) | [BRN ]
131200 | [InChI]
InChI=1S/C7H11N3O2/c1-3-12-7(11)5-4-9-10(2)6(5)8/h4H,3,8H2,1-2H3 | [InChIKey]
MEUSJJFWVKBUFP-UHFFFAOYSA-N | [SMILES]
N1(C)C(N)=C(C(OCC)=O)C=N1 | [CAS DataBase Reference]
31037-02-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed. | [Safety Statements ]
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S22:Do not breathe dust .
S36/37:Wear suitable protective clothing and gloves . | [WGK Germany ]
3 | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29331990 |
| Hazard Information | Back Directory | [Chemical Properties]
yellow crystals or crystalline powder | [Uses]
ETHYL 5-AMINO-1-METHYLPYRAZOLE-4-CARBOXYLATE features an amino group and a carboxylic acid moiety, which contribute to its reactivity and potential applications in various chemical reactions. The ethyl ester functional group enhances its solubility in organic solvents, making it useful in synthetic chemistry. | [Synthesis]
Example A Synthesis of ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate: methylhydrazine (8.6 mL, 162 mmol) was slowly added to a solution of ethyl (ethoxymethylene)cyanoacetate (24.9 g, 147 mmol) in ethanol (250 mL). The reaction mixture was heated to reflux and stirred continuously for 3 days. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure. The resulting residue was purified by recrystallization from a mixed ethyl acetate/petroleum ether solvent to afford a white solid product identified as ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate (21.1 g, 85% yield). | [References]
[1] Journal of Medicinal Chemistry, 2018, vol. 61, # 19, p. 8670 - 8692
[2] Bioorganic and Medicinal Chemistry Letters, 2004, vol. 14, # 17, p. 4585 - 4589
[3] Journal of Heterocyclic Chemistry, 2007, vol. 44, # 4, p. 749 - 755
[4] Patent: EP1512687, 2005, A1. Location in patent: Page/Page column 6
[5] Patent: US5498630, 1996, A |
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