Procaine hydrochloride supplier

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Name
Procaine hydrochloride
EINECS 200-077-2
CAS No. 51-05-8
Article Data3
CAS DataBase
Density 1.1761 (rough estimate)
Solubility soluble in water
Melting Point 155-156 °C(lit.)
Formula C₁₃H₂₀N₂O₂^.HCl
Boiling Point 373.6 °C at 760 mmHg
Molecular Weight 272.775
Flash Point 179.8 °C
Transport Information UN 2811 6.1/PG 3
Appearance white crystalline powder
Safety 36/37/39-45-37/39-26
Risk Codes 25-43-36/37/38-23/24/25
Molecular Structure
Hazard Symbols T
Synonyms Benzoicacid, 4-amino-, 2-(diethylamino)ethyl ester, monohydrochloride (9CI);Allocaine;Anadolor;Anesthesol;Atoxicocaine;Cetain;Diethylaminoethanol 4-aminobenzoate hydrochloride;Ethocain;Ethocaine;Geriocaine;Gerovital H3;Irocaine;Isocain;Jenacaine;Kerocaine;Medaject;Naucain;Naucaine;Procaine hydrochloride;
PSA 55.56000
LogP 3.15060

Synthetic route

: 7732-18-5
water

: 4-β-D-glucopyranosylamino-benzoic acid-(2-diethylamino-ethyl ester); hydrochloride

A: 50-99-7
D-glucose

B: 51-05-8
procaine hydrochloride

Conditions

Conditions	Yield
at 20 - 100℃; Equilibrium constant;

...Expand

: 54-21-7
sodium salicylate

: 51-05-8
procaine hydrochloride

: 4344-99-4
procainium salicylate

Conditions

Conditions	Yield
In water; acetone at 20℃;	98%

: 124-38-9
carbon dioxide

: 51-05-8
procaine hydrochloride

: procainium hydrocarbonate

Conditions

Conditions	Yield
With sodium hydrogencarbonate In water at -4 - 0℃; under 760.051 Torr; Product distribution / selectivity;	97.7%

: 529-44-2
myricetin

: 51-05-8
procaine hydrochloride

: 6,8-bis{p-[2-(diethylamino)ethoxycarbonyl]benzeneazo}-3,3',4',5,5',7-hexahydroxyflavone

Conditions

Conditions	Yield
Stage #1: procaine hydrochloride With hydrogenchloride; sodium acetate; sodium nitrite In water Diazotization; Stage #2: myricetin In ethanol; water at 25℃; Substitution;	95%

: 51-05-8
procaine hydrochloride

: 2-diethylaminoethyl 4-amino-3-chlorobenzoate

Conditions

Conditions	Yield
With N-chloro-succinimide; 2,2,6,6-tetramethylpiperidin-1-oxoammonium trifluoromethanesulfonate In chloroform at 25℃; for 12h; Reagent/catalyst; Schlenk technique;	95%

: 51-05-8
procaine hydrochloride

: 996-50-9
N,N-diethyl-1,1,1-trimethylsilanamine

: 76064-19-2
N,N'-Diethylaminoethyl-p-aminobenzoxytrimethylsilane

Conditions

Conditions	Yield
With triethylamine for 2h; Heating;	82%

: 51-05-8
procaine hydrochloride

: 31121-93-4
sodium 2-(4-isobutylphenyl)propionate

: C13H20N2O2*C13H18O2

Conditions

Conditions	Yield
In water at 20℃; for 2h;	79.1%

: 13156-10-0
3-Acetyl-4,5,5-trimethyl-Δ3-butenolide

: 51-05-8
procaine hydrochloride

: 82814-30-0
4-[1-(4,5,5-Trimethyl-2-oxo-2,5-dihydro-furan-3-yl)-eth-(E)-ylideneamino]-benzoic acid 2-diethylamino-ethyl ester

Conditions

Conditions	Yield
With sodium In ethanol for 4h; Heating;	54.4%

: 517-23-7
3-acetyl-2-oxo-4,5-dihydrofuran

: 51-05-8
procaine hydrochloride

: 4-[1-(2-oxo-tetrahydro-[3]furyl)-ethylLiDenamino]-benzoic acid-(2-diethylamino-ethyl ester)

Conditions

Conditions	Yield
at 150℃;

: 50-99-7
D-glucose

: 51-05-8
procaine hydrochloride

: 47593-05-5
4-β-D-glucopyranosylamino-benzoic acid-(2-diethylamino-ethyl ester)

Conditions

Conditions	Yield
With ethanol
With water

: 1835-02-5
2-Bromo-1-(3,4-dimethoxyphenyl)ethanone

: 51-05-8
procaine hydrochloride

: 4-(3,4-dimethoxy-phenacylamino)-benzoic acid-(2-diethylamino-ethyl ester)

Conditions

Conditions	Yield
With water

: 6305-04-0
p-hydroxyphenacyl chloride

: 51-05-8
procaine hydrochloride

: 4-(4-hydroxy-phenacylamino)-benzoic acid-(2-diethylamino-ethyl ester)

Conditions

Conditions	Yield
With water

: 51-05-8
procaine hydrochloride

: 4-amino-3-bromo-benzoic acid-(2-diethylamino-ethyl ester)

Conditions

Conditions	Yield
With water; bromine

: 51-05-8
procaine hydrochloride

: 79-22-1
methyl chloroformate

: 97441-57-1
4-methoxycarbonylamino-benzoic acid-(2-diethylamino-ethyl ester); hydrochloride

: 51-05-8
procaine hydrochloride

: 70-11-1
α-bromoacetophenone

: 4-phenacylamino-benzoic acid-(2-diethylamino-ethyl ester)

Conditions

Conditions	Yield
With water

: 42021-85-2
2,5,8,11,14-pentaoxa-pentadecanedioyl chloride

: 51-05-8
procaine hydrochloride

: 41562-67-8
C36H54N4O11

Conditions

Conditions	Yield
With triethylamine In chloroform

: 87385-94-2
benzaldehyde (4-phenyl-selenazol-2-yl)-hydrazone

: 51-05-8
procaine hydrochloride

: 109054-36-6
4-(4-Phenyl-2-{N'-[1-phenyl-meth-(Z)-ylidene]-hydrazino}-selenazol-5-ylazo)-benzoic acid 2-diethylamino-ethyl ester

Conditions

Conditions	Yield
With hydrogenchloride; sodium nitrite 1.) 0 deg C, 2.) EtOH, 0-5 deg C; Yield given. Multistep reaction;

: 3042-01-1
thiazolo[3,2-a]benzimidazol-3(2H)-one

: 51-05-8
procaine hydrochloride

: 107106-86-5
4-(3-Oxo-2,3-dihydro-benzo[4,5]imidazo[2,1-b]thiazol-2-ylazo)-benzoic acid 2-diethylamino-ethyl ester; hydrochloride

Conditions

Conditions	Yield
With sodium nitrite 1) glacial acetic acid, H2O, 0 deg C, 2) dioxane, 2 h, 5 deg C; Yield given. Multistep reaction;

: 51-05-8
procaine hydrochloride

: 20432-36-4
s-trans-((2trans-4trans)-5-(4-dimethylaminophenyl)phenyl)penta-2,4-dienal

: C26H33N3O2*H(1+)

Conditions

Conditions	Yield
With hydrogenchloride In methanol for 0.166667h;

: 51-05-8
procaine hydrochloride

: 109054-52-6
2-hydroxy-benzaldehyde (4-phenyl-selenazol-2-yl)-hydrazone

: 109081-52-9
4-(2-{N'-[1-(2-Hydroxy-phenyl)-meth-(Z)-ylidene]-hydrazino}-4-phenyl-selenazol-5-ylazo)-benzoic acid 2-diethylamino-ethyl ester

Conditions

Conditions	Yield
With hydrogenchloride; sodium nitrite 1.) 0 deg C, 2.) EtOH, 0-5 deg C; Yield given. Multistep reaction;

: 51-05-8
procaine hydrochloride

: 109054-53-7
4-phenyl-[2-(4-metoxy-benzyliden)-hydrazinyl]-1,3-selenazole

: 109054-37-7
4-(2-{N'-[1-(4-Methoxy-phenyl)-meth-(Z)-ylidene]-hydrazino}-4-phenyl-selenazol-5-ylazo)-benzoic acid 2-diethylamino-ethyl ester

Conditions

Conditions	Yield
With hydrogenchloride; sodium nitrite 1.) 0 deg C, 2.) EtOH, 0-5 deg C; Yield given. Multistep reaction;

: 51-05-8
procaine hydrochloride

: 109054-54-8
4-hydroxy-3-methoxy-benzaldehyde (4-phenyl-selenazol-2-yl)-hydrazone

: 4-(2-{N'-[1-(3-Hydroxy-4-methoxy-phenyl)-meth-(Z)-ylidene]-hydrazino}-4-phenyl-selenazol-5-ylazo)-benzoic acid 2-diethylamino-ethyl ester

Conditions

Conditions	Yield
With hydrogenchloride; sodium nitrite 1.) 0 deg C, 2.) EtOH, 0-5 deg C; Yield given. Multistep reaction;

: 51-05-8
procaine hydrochloride

: 95213-81-3
3-Benzylthiazolidin-2-one-4-thione

: 117014-20-7
4-(3-Benzyl-2-oxo-4-thioxo-thiazolidin-5-ylazo)-benzoic acid 2-diethylamino-ethyl ester; hydrochloride

Conditions

Conditions	Yield
With sodium nitrite 1.) acetic acid, water, 0-5 deg C, 10 min, 2.) dioxane, 0 deg C, 2 h; Yield given. Multistep reaction;

: 51-05-8
procaine hydrochloride

: 60795-47-3
5-Carbamoyl-2-methoxy-benzoyl chloride

: 89366-52-9
4-(5-Carbamoyl-2-methoxy-benzoylamino)-benzoic acid 2-diethylamino-ethyl ester

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran for 3h; Heating; Yield given;

: 51-05-8
procaine hydrochloride

: 5-Carbamoyl-2-octyloxy-benzoyl chloride

: 89366-50-7
4-(5-Carbamoyl-2-octyloxy-benzoylamino)-benzoic acid 2-diethylamino-ethyl ester

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran for 3h; Heating; Yield given;

: 51-05-8
procaine hydrochloride

: 2-Methoxy-5-octylcarbamoyl-benzoyl chloride

: 89366-60-9
4-(2-Methoxy-5-octylcarbamoyl-benzoylamino)-benzoic acid 2-diethylamino-ethyl ester

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran for 3h; Heating; Yield given;

: 51-05-8
procaine hydrochloride

: 5-Isopropylcarbamoyl-2-octyloxy-benzoyl chloride

: 89366-57-4
4-(5-Isopropylcarbamoyl-2-octyloxy-benzoylamino)-benzoic acid 2-diethylamino-ethyl ester

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran for 3h; Heating; Yield given;

: 51-05-8
procaine hydrochloride

: 5-Isobutylcarbamoyl-2-octyloxy-benzoyl chloride

: 89366-51-8
4-(5-Isobutylcarbamoyl-2-octyloxy-benzoylamino)-benzoic acid 2-diethylamino-ethyl ester

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran for 3h; Heating; Yield given;

: 51-05-8
procaine hydrochloride

: 5-Cyclohexylcarbamoyl-2-octyloxy-benzoyl chloride

: 89366-53-0
4-(5-Cyclohexylcarbamoyl-2-octyloxy-benzoylamino)-benzoic acid 2-diethylamino-ethyl ester

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran for 3h; Heating; Yield given;

: 51-05-8
procaine hydrochloride

: 5-Octylcarbamoyl-2-octyloxy-benzoyl chloride

: 89366-59-6
4-(5-Octylcarbamoyl-2-octyloxy-benzoylamino)-benzoic acid 2-diethylamino-ethyl ester

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran for 3h; Heating; Yield given;

: 51-05-8
procaine hydrochloride

: Procainperiodid

Conditions

Conditions	Yield
With iodine; potassium iodide In ethanol

Procaine hydrochloride Consensus Reports

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Procaine hydrochloride Specification

The Pocaine hydrochloride is an organic compound with the formula C₁₃H₂₀N₂O₂^.HCl. The IUPAC name of this chemical is 2-diethylaminoethyl 4-aminobenzoate hydrochloride. With the CAS registry number 51-05-8, it is also named as 4-Aminobenzoate de 2-(diéthylamino)éthyle chlorhydrate. The product's categories are Pharmaceutical; Sodium Channel. Besides, it is a white crystalline powder, which should be stored in a dark and closed place. It is a local anesthetic and used for pharmaceuticals.

Physical properties about Pocaine hydrochloride are:
(1)ACD/LogP: 2.36; (2)ACD/LogD (pH 5.5): -0.65; (3)ACD/LogD (pH 7.4): 0.52; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 6.67; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 32.78 Å²; (12)Flash Point: 179.8 °C; (13)Enthalpy of Vaporization: 62.09 kJ/mol; (14)Boiling Point: 373.6 °C at 760 mmHg; (15)Vapour Pressure: 8.84E-06 mmHg at 25°C.

When you are using Procaine hydrochloride, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCN(CC)CC)c1ccc(N)cc1.Cl
(2)InChI: InChI=1/C13H20N2O2.ClH/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10,14H2,1-2H3;1H
(3)InChIKey: HCBIBCJNVBAKAB-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C13H20N2O2.ClH/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10,14H2,1-2H3;1H
(5)Std. InChIKey: HCBIBCJNVBAKAB-UHFFFAOYSA-N

Product Name

Procaine hydrochloride

Synthetic route

Procaine hydrochloride Consensus Reports

Procaine hydrochloride Specification

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