4-Aminobenzamidine dihydrochloride supplier

Name
4-Aminobenzamidine dihydrochloride
EINECS 219-692-2
CAS No. 2498-50-2
Article Data9
CAS DataBase
Density 1.26g/cm3
Solubility
Melting Point >300 °C(lit.)
Formula C₇H₁₁Cl₂N₃
Boiling Point 289.8 °C at 760 mmHg
Molecular Weight 208.09
Flash Point 129 °C
Transport Information
Appearance white to yellowish fine crystalline powder
Safety 26-37/39-36
Risk Codes 36/37/38-22
Molecular Structure
Hazard Symbols Xi, Xn
Synonyms Benzamidine,p-amino-, dihydrochloride (6CI,7CI,8CI);Benzenecarboximidamide, 4-amino-,dihydrochloride (9CI);4-Amidinoaniline dihydrochloride;p-Aminobenzamidine dihydrochloride;
PSA 75.89000
LogP 3.53810

Synthetic route

: 35704-19-9
N-(4-cyanophenyl)acetamide

: 2498-50-2
4-aminobenzamidine dihydrochloride

Conditions

Conditions	Yield
Stage #1: N-(4-cyanophenyl)acetamide With sodium amide In dimethyl sulfoxide at 20 - 80℃; for 1.5h; Large scale; Stage #2: With hydrogenchloride In ethanol; dimethyl sulfoxide at 0℃; for 1.5h; pH=3 - 4; Solvent; Reagent/catalyst; Temperature; Large scale;	97.8%

: 25412-75-3
4-nitrobenzamidine

: 2498-50-2
4-aminobenzamidine dihydrochloride

Conditions

Conditions	Yield
Stage #1: 4-nitrobenzamidine With iron; acetic acid In ethanol; water at 60 - 80℃; for 4h; Stage #2: With hydrogenchloride In ethanol; water Reagent/catalyst;	94.7%

: 873-74-5
4-Aminobenzonitrile

: 2498-50-2
4-aminobenzamidine dihydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: hydrogenchloride / 16 h / -10 - 40 °C / Inert atmosphere 2.1: ammonia / ethanol / 2 h / 20 - 40 °C / Inert atmosphere 2.2: 0.5 h / 60 - 70 °C View Scheme
Multi-step reaction with 2 steps 1.1: hydrogenchloride / -10 - 40 °C / Inert atmosphere 2.1: ammonia / ethanol / 2 h / 20 - 40 °C / Inert atmosphere 2.2: 0.5 h / 60 - 70 °C View Scheme

: C8H10N2O*2ClH

: 2498-50-2
4-aminobenzamidine dihydrochloride

Conditions

Conditions	Yield
Stage #1: C8H10N2O*2ClH With ammonia In ethanol at 20 - 40℃; for 2h; Inert atmosphere; Stage #2: With hydrogenchloride In ethanol; water at 60 - 70℃; for 0.5h; Concentration; Solvent; Temperature;	18.3 g
Stage #1: C8H10N2O*2ClH With ammonia In ethanol at 20 - 40℃; for 2h; Inert atmosphere; Stage #2: With hydrogenchloride In ethanol; water at 60 - 70℃; for 0.5h; Concentration;	18.3 g

: ethyl 4-aminobenzimidate dihydrochloride

: 2498-50-2
4-aminobenzamidine dihydrochloride

Conditions

Conditions	Yield
Stage #1: ethyl 4-aminobenzimidate dihydrochloride With ammonia In ethanol at 20 - 40℃; for 2h; Inert atmosphere; Stage #2: With hydrogenchloride In ethanol; water at 60 - 70℃; for 0.5h; Concentration; Solvent; Temperature;	22.6 g
Stage #1: ethyl 4-aminobenzimidate dihydrochloride With ammonia In ethanol at 20 - 40℃; for 2h; Inert atmosphere; Stage #2: With hydrogenchloride In ethanol; water at 60 - 70℃; for 0.5h;	22.6 g

: 619-72-7
4-nitrobenzonitrile

: 2498-50-2
4-aminobenzamidine dihydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: thionyl chloride / 20 h / 20 °C / Inert atmosphere 2: ammonium carbonate / ethanol / 20 h / 20 °C / Inert atmosphere 3: acetic acid; iron / ethanol; water / 4 h / 60 - 80 °C View Scheme
Multi-step reaction with 3 steps 1: thionyl chloride / 24 h / 20 °C / Inert atmosphere 2: ammonium carbonate / methanol / 16 h / 20 °C / Inert atmosphere 3: acetic acid; iron / ethanol; water / 4 h / 60 - 80 °C View Scheme

: 52708-02-8
4-nitrobenzimidic acid methyl ester

: 2498-50-2
4-aminobenzamidine dihydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: ammonium carbonate / methanol / 16 h / 20 °C / Inert atmosphere 2: acetic acid; iron / ethanol; water / 4 h / 60 - 80 °C View Scheme

: 67-56-1
methanol

: 38622-91-2, 36635-61-7
[(p-methylphenyl)sulfonylmethyl]isonitrile

: 284044-35-5
4-isopropoxy-5-ethoxy-benzaldehyde

: 2498-50-2
4-aminobenzamidine dihydrochloride

: 883574-18-3
(4-Carbamimidoylphenylamino)-(3-ethoxy-4-isopropoxyphenyl)acetic acid methyl ester

Conditions

Conditions	Yield
Stage #1: 4-isopropoxy-5-ethoxy-benzaldehyde; 4-aminobenzamidine dihydrochloride In methanol at 60℃; for 0.5h; Stage #2: methanol; [(p-methylphenyl)sulfonylmethyl]isonitrile; boron trifluoride diethyl etherate at 0 - 20℃; Stage #3: With ammonia; water In ethyl acetate	100%

...Expand

: 6092-54-2
n-hexyl chloroformate

: 2498-50-2
4-aminobenzamidine dihydrochloride

: 1307233-93-7
4-aminobenzamidine-N-hexylcarbamate hydrochloride

Conditions

Conditions	Yield
Stage #1: n-hexyl chloroformate; 4-aminobenzamidine dihydrochloride With sodium hydroxide In acetone at 5 - 20℃; for 0.25h; Stage #2: With hydrogenchloride In water	97.2%

: 75-75-2
methanesulfonic acid

: 2-(6-((cyclopropylmethyl)carbamoyl)-2-(methoxycarbonyl)pyridin-3-yl)-4-methoxy-5-vinyl benzoic acid

: 2498-50-2
4-aminobenzamidine dihydrochloride

: methyl 3-[2-(4-carbamimidoylphenylcarbamoyl)-5-methoxy-4-vinylphenyl]-6-(cyclopropylmethylcarbamoyl)pyridine-2-carboxylate methanesulfonate

Conditions

Conditions	Yield
Stage #1: 2-(6-((cyclopropylmethyl)carbamoyl)-2-(methoxycarbonyl)pyridin-3-yl)-4-methoxy-5-vinyl benzoic acid; 4-aminobenzamidine dihydrochloride With pyridine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In isopropyl alcohol at 0 - 20℃; for 31h; Stage #2: methanesulfonic acid In methanol; isopropyl alcohol at 0 - 20℃; for 1h;	94%
Stage #1: 2-(6-((cyclopropylmethyl)carbamoyl)-2-(methoxycarbonyl)pyridin-3-yl)-4-methoxy-5-vinyl benzoic acid; 4-aminobenzamidine dihydrochloride With pyridine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In isopropyl alcohol at 20℃; for 13h; Large scale; Stage #2: methanesulfonic acid In methanol Large scale;	93%

...Expand

: 108-30-5
succinic acid anhydride

: 2498-50-2
4-aminobenzamidine dihydrochloride

: 4-[[4-(aminoiminomethyl)phenyl]amino]-4-oxobutanoic acid, monohydrochloride

Conditions

Conditions	Yield
With pyridine; dmap In N,N-dimethyl-formamide at 100℃; for 0.5h;	88%

: 1307233-94-8
N-[[2-(chloromethyl)-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridyl-β-alanine ethyl ester

: 2498-50-2
4-aminobenzamidine dihydrochloride

: 3-({2-[(4-carbamimidoylphenylamino)methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}pyridin-2-yl-amino)propionic acid ethyl ester

Conditions

Conditions	Yield
With tetrabutylammomium bromide; potassium carbonate; sodium iodide In acetic acid butyl ester; water at 40℃; for 2h; Reagent/catalyst; Inert atmosphere;	88%
With tetrabutylammomium bromide; potassium carbonate; sodium iodide In acetic acid butyl ester; water at 40℃; for 2h; Reagent/catalyst; Inert atmosphere;	88%

: 2498-50-2
4-aminobenzamidine dihydrochloride

: 501-53-1
benzyl chloroformate

: 147291-70-1
4-[N-(benzyloxycarbonyl)-aminoiminomethyl]aniline

Conditions

Conditions	Yield
With sodium hydroxide In tetrahydrofuran; dichloromethane; water	87%
With sodium hydroxide In tetrahydrofuran; water for 1h; Ambient temperature;	50%

: 2498-50-2
4-aminobenzamidine dihydrochloride

: p-Azidobenzamidin

Conditions

Conditions	Yield
Stage #1: 4-aminobenzamidine dihydrochloride With hydrogenchloride; sodium nitrite In water at 0℃; for 1h; Inert atmosphere; Stage #2: With sodium azide In water for 1.83h; Inert atmosphere;	87%

: 13141-38-3
2-phenylethynylaniline

: 2498-50-2
4-aminobenzamidine dihydrochloride

: (E)-4-(3-(2-(phenylethynyl)phenyl)triaz-1-enyl)benzimidamide

Conditions

Conditions	Yield
Stage #1: 4-aminobenzamidine dihydrochloride With hydrogenchloride In water at 0℃; for 0.25h; Stage #2: With sodium nitrite In water at 0℃; for 0.25h; Stage #3: 2-phenylethynylaniline Further stages;	85%

: 67-56-1
methanol

: 38622-91-2, 36635-61-7
[(p-methylphenyl)sulfonylmethyl]isonitrile

: 2498-50-2
4-aminobenzamidine dihydrochloride

: 86759-23-1
3-ethoxy-4-(2-dimethylaminoethoxy)benzaldehyde

: 883575-39-1
(4-Carbamimidoylphenylamino)-(4-(2-dimethylaminoethoxy)-3-ethoxyphenyl)acetic acid methyl ester

Conditions

Conditions	Yield
Stage #1: 4-aminobenzamidine dihydrochloride; 3-ethoxy-4-(2-dimethylaminoethoxy)benzaldehyde In methanol at 60℃; for 0.5h; Stage #2: methanol; [(p-methylphenyl)sulfonylmethyl]isonitrile; boron trifluoride diethyl etherate at 0 - 20℃; for 48h; Stage #3: With ammonia; water In methanol; ethyl acetate	83%

...Expand

: 2873-74-7
gloutaric dichloride

: 2498-50-2
4-aminobenzamidine dihydrochloride

: N,N'-[4,4'-(amidinobisphenyl)]pentanediamide dihydrochloride

Conditions

Conditions	Yield
Stage #1: 4-aminobenzamidine dihydrochloride With pyridine In N,N-dimethyl-formamide for 0.25h; Stage #2: gloutaric dichloride In N,N-dimethyl-formamide for 1.25h; Product distribution / selectivity; Heating / reflux;	80%

: 2498-50-2
4-aminobenzamidine dihydrochloride

: 541-41-3
chloroformic acid ethyl ester

: ethyl ((4-aminophenyl)(imino)methyl)carbamate

Conditions

Conditions	Yield
With sodium hydroxide In water; acetone at 0 - 10℃; for 0.333333h;	75%

: 2-(6-((cyclopropylmethyl)carbamoyl)-2-((2-morpholinoethoxy)carbonyl)pyridin-3-yl)-4-methoxy-5-vinylbenzoic acid

: 2498-50-2
4-aminobenzamidine dihydrochloride

: 2-morpholinoethyl 3-(2-((4-carbamimidoylphenyl)carbamoyl)-5-methoxy-4-vinylphenyl)-6-((cyclopropylmethyl)carbamoyl)picolinate hydrochloride

Conditions

Conditions	Yield
Stage #1: 2-(6-((cyclopropylmethyl)carbamoyl)-2-((2-morpholinoethoxy)carbonyl)pyridin-3-yl)-4-methoxy-5-vinylbenzoic acid; 4-aminobenzamidine dihydrochloride With pyridine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃; for 2h; Stage #2: With hydrogenchloride	72%

: 1140899-25-7
5,8-dichloro-2,3-diacyanoquinoxaline

: 2498-50-2
4-aminobenzamidine dihydrochloride

: 4-amino-6,9-dichloro-2-(4-aminophenyl)benzo[g]pteridine

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide at 80℃; for 12h;	71%

: 2498-50-2
4-aminobenzamidine dihydrochloride

: 920-46-7
Methacryloyl chloride

: N-methacryloyl-4-aminobenzamidine

Conditions

Conditions	Yield
With pyridine In N,N-dimethyl acetamide at 0 - 20℃; for 2h; Inert atmosphere;	71%

: 67036-15-1
p-nitrophenylcarbonate hexyl ester

: 2498-50-2
4-aminobenzamidine dihydrochloride

: hexyl ((4-aminophenyl)(imino)methyl)carbamate

Conditions

Conditions	Yield
With sodium hydroxide In water; acetone at 20℃;	69%

: 2498-50-2
4-aminobenzamidine dihydrochloride

: 101623-70-5
acetic acid 4-nitro-phenoxycarbonyl-oxymethyl ester

: ((((4-aminophenyl)(imino)methyl)carbamoyl)oxy)methyl acetate

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide	67%

: tert-butyl 2-((4R,6S)-2,2-dimethyl-6-((((4-nitrophenoxy)carbonyl)oxy)methyl)-1,3-dioxan-4-yl)acetate

: 2498-50-2
4-aminobenzamidine dihydrochloride

: tert-butyl 2-((4R,6S)-6-(((((4-aminophenyl)(imino)methyl)carbamoyl)oxy)methyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate

Conditions

Conditions	Yield
With sodium hydroxide In water; acetone at 20℃;	66%

: 2498-50-2
4-aminobenzamidine dihydrochloride

: 2-(2H-benzotriazol-2-yl)-3-dimethylamino-N,N-dimethyl-prop-2-eniminiumtetrafluoroborate

: 4-(5-Benzotriazol-2-yl-pyrimidin-2-yl)-phenylamine

Conditions

Conditions	Yield
With pyridine for 2h; Heating;	65%

: 2-(6-((cyclopropylmethyl)carbamoyl)-2-(methoxycarbonyl)pyridin-3-yl)-4-methoxy-5-vinyl benzoic acid

: 2498-50-2
4-aminobenzamidine dihydrochloride

: methyl-3-(2-(4-carbamimidoylphenylcarbamoyl)-5-methoxy-4-vinylphenyl)-6-(cyclopropylmethylcarbamoyl)-2-picolinate

Conditions

Conditions	Yield
With pyridine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 0 - 20℃;	65%

: 2-(6-((cyclopropylmethyl)carbamoyl)-2-(methoxycarbonyl)pyridin-3-yl)-4-methoxy-5-vinyl benzoic acid

: 2498-50-2
4-aminobenzamidine dihydrochloride

: methyl 3-(2-((4-carbamimidoylphenyl)carbamoyl)-5-methoxy-4-vinylphenyl)-6-((cyclopropylmethyl)-carbamoyl)picolinate hydrochloride

Conditions

Conditions	Yield
With pyridine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃;	65%
With pyridine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride at -1.1 - 0.3℃; for 22h;

: 2-(6-((cyclopropylmethyl)carbamoyl)-2-((2-methyl-1-(pivaloyloxy)propoxy)carbonyl)pyridin-3-yl)-4-methoxy-5-vinylbenzoic acid

: 2498-50-2
4-aminobenzamidine dihydrochloride

: 2-methyl-1-(pivaloyloxy)propyl 3-(2-((4-carbamimidoylphenyl)carbamoyl)-5-methoxy-4-vinylphenyl)-6-((cyclopropylmethyl)carbamoyl)picolinate hydrochloride

Conditions

Conditions	Yield
Stage #1: 2-(6-((cyclopropylmethyl)carbamoyl)-2-((2-methyl-1-(pivaloyloxy)propoxy)carbonyl)pyridin-3-yl)-4-methoxy-5-vinylbenzoic acid; 4-aminobenzamidine dihydrochloride With pyridine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃; for 2h; Stage #2: With hydrogenchloride	65%

: tert-butyl 3-(((4-nitrophenoxy)carbonyl)oxy)propanoate

: 2498-50-2
4-aminobenzamidine dihydrochloride

: tert-butyl 3-((((4-aminophenyl)(imino)methyl)carbamoyl)oxy)propanoate

Conditions

Conditions	Yield
With sodium hydroxide In water; acetone at 20℃;	61%

: 2498-50-2
4-aminobenzamidine dihydrochloride

: 814-68-6
acryloyl chloride

: (4-acrylamidophenyl)(amino)methaniminium chloride

Conditions

Conditions	Yield
With sodium acetate In water at 5℃; for 1h;	60%
With sodium acetate In water at 5℃; for 1h;	52%
With sodium acetate In water at 5℃;

: 4316-93-2
4,6-dichloro-5-nitropyrimidine

: 2498-50-2
4-aminobenzamidine dihydrochloride

: C18H17N9O2*2ClH

Conditions

Conditions	Yield
With triethylamine In ethanol at 50℃; for 3h;	60%

: 2426-87-1
3-methoxy-4-(phenylmethoxy)benzaldehyde

: 2498-50-2
4-aminobenzamidine dihydrochloride

: 121-45-9
phosphorous acid trimethyl ester

: [(4-benzyloxy-3-methoxyphenyl)(4-carbamimidoylphenylamino)methyl]phosphonic acid dimethyl ester hydrochloride

Conditions

Conditions	Yield
Stage #1: 3-methoxy-4-(phenylmethoxy)benzaldehyde; 4-aminobenzamidine dihydrochloride; phosphorous acid trimethyl ester With acetic acid at 20℃; for 48h; Stage #2: With hydrogenchloride In water at 4℃;	58%

...Expand

: 3-((4-fluorophenyl)ethynyl)aniline

: 2498-50-2
4-aminobenzamidine dihydrochloride

: (E)-4-(3-(3-((4-fluorophenyl)ethynyl)phenyl)triaz-1-enyl)benzimidamide

Conditions

Conditions	Yield
Stage #1: 4-aminobenzamidine dihydrochloride With hydrogenchloride In water at 0℃; for 0.25h; Stage #2: With sodium nitrite In water at 0℃; for 0.25h; Stage #3: 3-((4-fluorophenyl)ethynyl)aniline Further stages;	58%

: 4397-53-9
p-benzyloxybenzaldehyde

: 2498-50-2
4-aminobenzamidine dihydrochloride

: 4-(4-benzyloxybenzylamino)benzimidamide

Conditions

Conditions	Yield
Stage #1: p-benzyloxybenzaldehyde; 4-aminobenzamidine dihydrochloride With acetic acid; N-ethyl-N,N-diisopropylamine In ethanol at 20℃; Stage #2: With sodium cyanoborohydride In ethanol at 20℃;	57%

: 24424-99-5
di-tert-butyl dicarbonate

: 2498-50-2
4-aminobenzamidine dihydrochloride

: 147291-56-3
tert-butyl [(4-aminophenyl)(imino)methyl]carbamate

Conditions

Conditions	Yield
With sodium hydroxide In tetrahydrofuran for 5h;	56%
Stage #1: 4-aminobenzamidine dihydrochloride With sodium hydroxide In tetrahydrofuran; water at 0 - 10℃; for 0.5h; Inert atmosphere; Stage #2: di-tert-butyl dicarbonate In tetrahydrofuran; water at 0 - 10℃; for 3h; Inert atmosphere;	56.3 g

4-Aminobenzamidine dihydrochloride Chemical Properties

Molecular Structure of 4-Aminobenzamidine dihydrochloride (CAS NO.2498-50-2):

IUPAC Name: 4-aminobenzenecarboximidamide dihydrochloride
CAS: 2498-50-2
Molecular Formula: C₇H₁₁Cl₂N₃
Molecular Weight: 208.09
EINECS: 219-692-2
Storage temp: 2-8°C
Sensitive: Hygroscopic
BRN: 3692927
Index of Refraction: 1.629
Molar Refractivity: 37.99 cm³
Molar Volume: 106.8 cm³
Polarizability: 15.06 10^-24cm³
Surface Tension: 55.2 dyne/cm
Density: 1.26 g/cm³
Flash Point: 129 °C
Enthalpy of Vaporization: 52.91 kJ/mol
Boiling Point: 289.8 °C at 760 mmHg
Vapour Pressure: 0.00216 mmHg at 25°C
Melring point: >300 °C(lit.)
Product Categories: Anilines, Aromatic Amines and Nitro Compounds;Amines; Miscellaneous; Broad Spectrum Inhibitors of Proteolytic Enzyme Classes; Other Fluorescent LabelsEnzyme Inhibitors; Protease InhibitorsFluorescent Stains; Protein Stains; Protein Stains For SpectroscopyProtease Inhibitors; Serine Protease Inhibitors; Fluorescent Labels; Fluorescent Probes, Labels, Particles and Stains; Protease Inhibitors; Imines/AmidinesFluorescent Probes, Labels, Particles and Stains; Nitrogen Compounds; Organic Building Blocks; Other Fluorescent Labels

4-Aminobenzamidine dihydrochloride Safety Profile

Hazard Codes: Irritant Xi, Harmful Xn
Risk Statements: 36/37/38-22 (36/37/38: Irritating to eyes, respiratory system and skin 22: Harmful if swallowed)
Safety Statements: 26-37/39-36 (26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 37/39: Wear suitable gloves and eye/face protection 36: Wear suitable protective clothing)
WGK Germany: 3
F: 3-10-21

4-Aminobenzamidine dihydrochloride Specification

4-Aminobenzamidine dihydrochloride (CAS NO.2498-50-2) is also named as p-amino-benzamidindihydrochloride ; 4-amino-benzenecarboximidamiddihydrochloride ; 4-aminobenzenecarboximidamidedihydrochloride ; Benzamidine, p-amino-, dihydrochloride ; 4-aminobenzenecarboximidamide dihydrochloride .It is a white needle, commonly used as pharmaceutical intermediate.

Product Name

4-Aminobenzamidine dihydrochloride

Synthetic route

4-Aminobenzamidine dihydrochloride Chemical Properties

4-Aminobenzamidine dihydrochloride Safety Profile

4-Aminobenzamidine dihydrochloride Specification

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