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

Ethyl 3-amino-1H-pyrazole-4-carboxylate structure

CAS No:
6994-25-8
Formula:
C6H9N3O2
Chemical Name:
Ethyl 3-amino-1H-pyrazole-4-carboxylate
Synonyms:
1H-Pyrazole-4-carboxylic acid,3-amino-,ethyl ester;Pyrazole-4-carboxylic acid,3-amino-,ethyl ester;Pyrazole-4-carboxylic acid,3(or 5)-amino-,ethyl ester;3-Amino-4-carbethoxypyrazole;Ethyl 3-aminopyrazole-4-carboxylate;3-Amino-4-(ethoxycarbonyl)pyrazole;Ethyl 5-amino-4-pyrazolecarboxylate;Ethyl 5-aminopyrazol-4-carboxylate;Ethyl 3-aminopyrazol-4-carboxylate;3-Amino-1H-pyrazole-4-carboxylic acid ethyl ester;Ethyl 5-amino-1H-pyrazole-4-carboxylate;Ethyl 3-amino-1H-pyrazole-4-carboxylate;NSC 521580;3-Amino-4-carboethoxy-2H-pyrazole;103259-35-4;112633-66-6;114562-90-2;134022-75-6;136873-53-5;137839-15-7;140706-28-1;19750-02-8;75263-88-6;80568-97-4;345633-56-9;412958-80-6;475115-66-3;632365-61-8;666845-37-0;681458-38-8;749216-53-3;771514-20-6;863330-86-3;153904-35-9;154324-69-3;159224-06-3;162286-50-2;244127-29-5;890006-50-5;1048924-81-7;1067939-65-4;1163721-91-2
Categories:
Organic Chemistry > Coordination Complexes

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Description

Off-White Powder

Ethyl 3-amino-1H-pyrazole-4-carboxylate Basic Attributes

Molecular Weight：

155.15

Exact Mass：

155.15

BRN：

4964

EC Number：

230-262-3

UNII：

9GY5HA1GAA

NSC Number：

521580

HScode：

29331990

Characteristics

PSA：

XLogP3：

0.6

Appearance：

White to yellow Crystalline Powder

Density：

1.3±0.1 g/cm3

Melting Point：

102-103 °C @ Solvent: Water

Boiling Point：

349.2°C at 760 mmHg

Flash Point：

165.0±22.3 °C

Refractive Index：

1.585

Storage Conditions：

Amber Vial, -20°C Freezer

Safety Information

Hazard category：

IRRITANT

Transport codes：

UN 3077 9 / PGIII

wgk germany：

hazard class code：

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

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：

H317-H410

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-1H-pyrazole-4-carboxylate 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.

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

Acetic acid

Ethyl cyanoacetate

Ethanol

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3- aMino-4- pyrazoleethyl forMate

CAS No.: 6994-25-8

Grade: Industrial Grade

Content: 98%

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CAS No.: 6994-25-8

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Guide of Ethyl 3-amino-1H-pyrazole-4-carboxylate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
Latest News
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Ethyl 3-amino-1H-pyrazole-4-carboxylate

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