Ethyl 3-amino-4-pyrazolecarboxylate
- Product Name
- Ethyl 3-amino-4-pyrazolecarboxylate
- CAS No.
- 6994-25-8
- Chemical Name
- Ethyl 3-amino-4-pyrazolecarboxylate
- Synonyms
- Ethyl 3-amino-1H-pyrazole-4-carboxylate;ETHYL 5-AMINO-1H-PYRAZOLE-4-CARBOXYLATE;Allopurinol Related Compound D;5-Amino-1H-pyrazole-4-carboxylic acid;AMINAZOLE;INDIP-014;(19750-02-8;AKOS B001005;AKOS BC-0708;e-4-carboxyL
- CBNumber
- CB7371660
- Molecular Formula
- C6H9N3O2
- Formula Weight
- 155.15
- MOL File
- 6994-25-8.mol
Ethyl 3-amino-4-pyrazolecarboxylate Property
- Melting point:
- 105-107 °C(lit.)
- Boiling point:
- 278.95°C (rough estimate)
- Density
- 1.3092 (rough estimate)
- refractive index
- 1.6500 (estimate)
- storage temp.
- 2-8°C
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- Crystalline Powder
- pka
- 12.98±0.50(Predicted)
- color
- White to yellow
- BRN
- 4964
- Stability:
- Light sensitive
- InChI
- InChI=1S/C6H9N3O2/c1-2-11-6(10)4-3-8-9-5(4)7/h3H,2H2,1H3,(H3,7,8,9)
- InChIKey
- YPXGHKWOJXQLQU-UHFFFAOYSA-N
- SMILES
- N1C=C(C(OCC)=O)C(N)=N1
- CAS DataBase Reference
- 6994-25-8(CAS DataBase Reference)
- NIST Chemistry Reference
- 3-Amino-4-carbethoxypyrazole(6994-25-8)
Safety
- Hazard Codes
- Xi,Xn,N
- Risk Statements
- 36/37/38-20/21/22-50/53-43
- Safety Statements
- 26-36-24/25-61-60-36/37
- RIDADR
- UN 3077 9 / PGIII
- WGK Germany
- 3
- HazardClass
- IRRITANT
- HS Code
- 29331990
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H319Causes serious eye irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P337+P313IF eye irritation persists: Get medical advice/attention.
N-Bromosuccinimide Price
- Product number
- BP844
- Product name
- Allopurinol impurity D
- Purity
- British Pharmacopoeia (BP) Reference Standard
- Packaging
- 10MG
- Price
- $248
- Updated
- 2025/07/31
- Product number
- A45009
- Product name
- Ethyl 3-aminopyrazole-4-carboxylate
- Purity
- 98%
- Packaging
- 5g
- Price
- $35
- Updated
- 2025/07/31
- Product number
- A0350040
- Product name
- Allopurinol impurity D
- Purity
- European Pharmacopoeia (EP) Reference Standard
- Packaging
- 15 mg
- Price
- $156
- Updated
- 2025/07/31
- Product number
- 1013046
- Product name
- Allopurinol Related Compound D
- Purity
- United States Pharmacopeia (USP) Reference Standard
- Packaging
- 35mg
- Price
- $1200
- Updated
- 2025/07/31
- Product number
- E0766
- Product name
- Ethyl 3-Aminopyrazole-4-carboxylate
- Purity
- >98.0%(GC)(T)
- Packaging
- 5g
- Price
- $89
- Updated
- 2025/07/31
Ethyl 3-amino-4-pyrazolecarboxylate Chemical Properties,Usage,Production
Chemical Properties
Off-White Powder
Uses
Ethyl 3-Amino-4-pyrazolecarboxylate (Allopurinol EP Impurity D) is an impurity of Allopurinol (A547300), a pyrazole derivative that has been shown to induce neoplasm immunogenicity.
General Description
Pharmaceutical secondary standards for application in quality control provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards
Synthesis
94-05-3
1260243-04-6
General procedure for the synthesis of ethyl 5-amino-1H-pyrazole-4-carboxylate from ethyl ethoxymethylcyanoacetate: ethyl ethoxymethylcyanoacetate (68 g, 0.4 mol) was added to a reaction vessel containing 200 mL of anhydrous ethanol; 100 mL of hydrazine hydrate was added slowly and dropwise to the reaction vessel. The reaction mixture was placed in an electric heating jacket and gradually heated up to 80 °C within 30 min to obtain mixture A. The mixture A was heated to reflux and kept in reflux reaction for 4 h. The reaction was carried out under reduced pressure. Upon completion of the reaction, ethanol was removed by distillation under reduced pressure and the remaining solid was concentrated by evaporation. The concentrated solid was cooled to room temperature and left to precipitate a light yellow solid, which was filtered, washed and dried to give the intermediate ethyl 5-amino-1H-pyrazole-4-carboxylate. Cold anhydrous ethanol was used for the washing process. The mass of the final product ethyl 5-amino-1H-pyrazole-4-carboxylate was 41.68 g and the yield was 66.78%.
References
[1] Patent: CN105949202, 2016, A. Location in patent: Paragraph 0048-0053
[2] Patent: CN106008517, 2016, A. Location in patent: Paragraph 0048; 0049; 0050; 0051; 0052; 0053
[3] Patent: CN106008519, 2016, A. Location in patent: Paragraph 0048; 0049; 0050; 0051; 0052; 0053
[4] Patent: CN105949199, 2016, A. Location in patent: Paragraph 0047-0052
[5] Patent: CN105949200, 2016, A. Location in patent: Page/Page column 6; 7; 23
Ethyl 3-amino-4-pyrazolecarboxylate Preparation Products And Raw materials
Raw materials
Preparation Products
Ethyl 3-amino-4-pyrazolecarboxylate Suppliers
- Tel
- 320-37350700
- Fax
- +32 (0)37350701
- sales@tcieurope.eu
- Country
- Europe
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View Lastest Price from Ethyl 3-amino-4-pyrazolecarboxylate manufacturers
- Product
- Ethyl 3-amino-4-pyrazolecarboxylate 6994-25-8
- Price
- US $0.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 10000KGS
- Release date
- 2025-02-23
- Product
- Ethyl 3-amino-4-pyrazolecarboxylate 6994-25-8
- Price
- US $0.00-0.00/KG
- Min. Order
- 1g
- Purity
- 99%
- Supply Ability
- 2000tons
- Release date
- 2019-12-31
- Product
- Ethyl 3-amino-4-pyrazolecarboxylate 6994-25-8
- Price
- US $100.00/KG
- Min. Order
- 1KG
- Purity
- 98%
- Supply Ability
- 100KG
- Release date
- 2021-09-14