ChemicalBook CAS DataBase List 4023-02-3

4023-02-3

Name	1H-Pyrazole-1-carboxamidine hydrochloride
CAS	4023-02-3
EINECS(EC#)	429-520-1
Molecular Formula	C4H7ClN4
MDL Number	MFCD00210087
Molecular Weight	146.58
MOL File	4023-02-3.mol

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

Chemical Properties

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 Data

Symbol(GHS)	GHS05,GHS07,GHS08
Signal word	Danger
Hazard statements	H302-H317-H318-H335-H373-H412
Precautionary statements	P273-P280-P301+P312-P302+P352-P305+P351+P338-P314
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. less more
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 . less more
WGK Germany	3
F	10-21
REACH Registrations	Inactive
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 Information

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

288-13-1

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 Detail

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