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Ethyl 3-amino-4-pyrazolecarboxylate

Ethyl 3-amino-4-pyrazolecarboxylate structure

CAS No:
6994-25-8
Formula:
C6H9N3O2
Chemical Name:
Ethyl 3-amino-4-pyrazolecarboxylate
Synonyms:
JR-8260, 3-Amino-4-carbethoxypyrazole, 97%;Ethyl 5-amino-1H-pyrazole-4-carboxylate 97%;Allopurinol EP Impurity D (USP RC D);Allopurinol EP IMpurity D;3- aMino-4- pyrazoleethyl forMate;5-AMINO-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER(Ethyl 3-amino-4-pyrazolecarboxylate);Ethyl3-amino-1H-pyrazole-4-carboxylate,99%;AKOS BC-0708
Categories:
Organic Chemistry > Coordination Complexes

Description

Off-White Powder

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

Ethyl 3-amino-4-pyrazolecarboxylate Basic Attributes

Molecular Weight：

155.15

Exact Mass：

155.15

BRN：

4964

EC Number：

230-262-3

UNII：

9GY5HA1GAA

NSC Number：

521580

Color/Form：

White to yellow

HScode：

29331990

Characteristics

PSA：

XLogP3：

0.6

Appearance：

White to yellow Crystalline Powder

Density：

1.3092 (rough estimate)

Melting Point：

105-107 °C(lit.)

Boiling Point：

278.95°C (rough estimate)

Flash Point：

165.0±22.3 °C

Refractive Index：

1.6500 (estimate)

Storage Conditions：

Amber Vial, -20°C Freezer

PKA：

12.98±0.50(Predicted)

Critical Temperature & Pressure：

2-8°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

UN 3077 9 / PGIII

wgk germany：

hazard class code：

Xi,Xn,N

safety instructions：

26-36-24/25-61-60-36/37

Marks：

Xi,Xn,N

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P280

Hazard Statements：

36/37/38-20/21/22-50/53-43

RIDADR：

UN 3077 9 / PGIII

GHS Classification：

|Warning|H317 (85.11%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P264, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, P391, and P501|Aggregated GHS information provided by 47 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

ethyl 3-amino-1H-pyrazole-4-carboxylate

Ethyl 3-amino-4-pyrazolecarboxylate Use and Manufacturing

Methods of Manufacturing

It is obtained by condensation and cyclization of ethyl cyanoacetate. Ethyl cyanoacetate, triethyl orthoformate and acetic anhydride were refluxed and reacted at 140° C. for 4 hours, and then distilled under reduced pressure to obtain ethyl cyanoacetate. Dissolve the latter in ethanol, add hydrazine hydrate and reflux for 6h to generate 3-amino-4-ethoxycarbonylpyrazole.

Uses

Used as an intermediate for allopurinol.

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.

Computed Properties

Molecular Weight:155.15
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:155.069476538
Monoisotopic Mass:155.069476538
Topological Polar Surface Area:81
Heavy Atom Count:11
Complexity:151
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Ethyl cyanoacetate

Ethanol

Acetic acid

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Latest News on Ethyl 3-amino-4-pyrazolecarboxylate

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Guide of Ethyl 3-amino-4-pyrazolecarboxylate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
Latest News
Learn More Other Chemicals

Ethyl 3-amino-4-pyrazolecarboxylate

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