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4023-02-3

4023-02-3 Structure

4023-02-3 Structure
IdentificationMore
[Name]

1H-Pyrazole-1-carboxamidine hydrochloride
[CAS]

4023-02-3
[Synonyms]

1-AMIDINOPYRAZOLE HYDROCHLORIDE
1-AMIDINOPYRAZOLE MONOHYDROCHLORIDE
1H-PYRAZOLE-1-CARBAMIDINE HCL
1H-PYRAZOLE-1-CARBOXAMIDINE HYDROCHLORIDE
1H-PYRAZOLE-1-CARBOXAMIDINE MONOHYDROCHLORIDE
AMIDINOPYRAZOLE HCL
N-GUANYLPYRAZOLE
PRAXADINE HYDROCHLORIDE
PYRAZOLE-1-CARBOXAMIDINE
PYRAZOLE CARBOXAMIDINE HCL
TIMTEC-BB SBB004101
Praxadine
(1H)-Pyrazole-1-carboxamidineHCl
1H-PYRAZOLE-1-CARBOXIMIDAMIDEHYDROCHLORIDE
1H-Pyrazole-1-carboximidamidemonohydrochloride
1H-PYRAZOLE-1-CARBOXAMIDINE, HYDROCHLORIDE 98+%
1H-pyrazole-1-carboxamidine
1H-PYRAZOLE-1-CARBAMIDINE HCI
1-Pyrazolecarboxamidine Hydrochloride
1-Amidinopyrazole hydrochloride, Praxadine
[EINECS(EC#)]

429-520-1
[Molecular Formula]

C4H7ClN4
[MDL Number]

MFCD00210087
[Molecular Weight]

146.58
[MOL File]

4023-02-3.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystals or crystalline
[Melting point ]

167-170 °C(lit.)
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

Crystals or Crystalline Powder
[color ]

White to light yellow
[Water Solubility ]

Soluble
[Usage]

A stable and versatile reagent for the efficient and chemically specific guanylation of sterically unhindered primary and secondary aliphatic amines under mild conditions. Useful reagent in peptide synthesis
[BRN ]

5448758
[InChI]

InChI=1S/C4H6N4.ClH/c5-4(6)8-3-1-2-7-8;/h1-3H,(H3,5,6);1H
[InChIKey]

RBZRMBCLZMEYEH-UHFFFAOYSA-N
[SMILES]

N1(C(N)=N)C=CC=N1.[H]Cl
[CAS DataBase Reference]

4023-02-3(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi,C
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R36/37:Irritating to eyes and respiratory system .
R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[WGK Germany ]

3
[F ]

10-21
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Chronic 3
Eye Dam. 1
Skin Sens. 1
STOT RE 2
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystals or crystalline
[Uses]

1H-Pyrazole-1-carboxamidine hydrochloride is a stable and versatile reagent for the efficient and chemically specific guanylation of sterically unhindered primary and secondary aliphatic amines under mild conditions. 1H-Pyrazole-1-carboxamidine hydrochloride is a useful reagent in peptide synthesis
[General Description]

1H-Pyrazole-1-carboxamidine hydrochloride, a pyrazole derivative, is a heterocyclic compound. It is widely used in drug syntheses studies. Pyrazole ring forms the main core of various nonsteroidal anti-inflammatory drugs (NSAIDs) and antihypertensive drugs.
[Synthesis]

Pyrazole

288-13-1

Cyanamide

420-04-2

1H-Pyrazole-1-carboxamidine hydrochloride

4023-02-3

Pyrazole (1.634 g, 24 mmol) and cyanamide (1 g, 24 mmol) were dissolved in 1,4-dioxane (24 mL), followed by the addition of 4 M hydrochloric acid (6 mL) to the 1,4-dioxane solution. The reaction mixture was stirred under reflux conditions for 1 hour. Upon completion of the reaction, the reaction mixture was placed in an ice-water bath and the product was induced to recrystallize by the addition of ether. The yield of the final product was 43%.

[References]

[1] Journal of Organic Chemistry, 1992, vol. 57, # 8, p. 2497 - 2502
[2] Organic Letters, 2004, vol. 6, # 26, p. 4925 - 4927
[3] Patent: KR101808950, 2017, B1. Location in patent: Paragraph 0233-0236
[4] Bioorganic and Medicinal Chemistry Letters, 2000, vol. 10, # 24, p. 2771 - 2774
[5] Journal of Medicinal Chemistry, 2005, vol. 48, # 3, p. 812 - 820
Spectrum DetailBack Directory
[Spectrum Detail]

1H-Pyrazole-1-carboxamidine hydrochloride(4023-02-3)1HNMR
1H-Pyrazole-1-carboxamidine hydrochloride(4023-02-3)FT-IR
1H-Pyrazole-1-carboxamidine hydrochloride(4023-02-3)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1H-Pyrazole-1-carboxamidine monohydrochloride, 99%(4023-02-3)
[Sigma Aldrich]

4023-02-3(sigmaaldrich)
[TCI AMERICA]

1-Amidinopyrazole Hydrochloride,>98.0%(LC)(T)(4023-02-3)
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