Ethopabate supplier | CasNO.59-06-3

Name
Ethopabate
EINECS 200-414-3
CAS No. 59-06-3
Article Data7
CAS DataBase
Density 1.18 g/cm³
Solubility
Melting Point 148-151 °C
Formula C₁₂H₁₅NO₄
Boiling Point 426.1 °C at 760 mmHg
Molecular Weight 237.255
Flash Point 211.5 °C
Transport Information
Appearance Colorless to yellow liquid
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Benzoicacid, 4-(acetylamino)-2-ethoxy-, methyl ester;
PSA 64.63000
LogP 1.90330

Synthetic route

: 4093-28-1
methyl 4-acetamido-2-hydroxybenzoate

: 75-03-6
ethyl iodide

: 59-06-3
methyl 4-acetamido-2-ethoxybenzoate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20 - 30℃; for 24h;	98.4%
With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 6h;	97%

: 64-67-5
diethyl sulfate

: 4093-28-1
methyl 4-acetamido-2-hydroxybenzoate

: 59-06-3
methyl 4-acetamido-2-ethoxybenzoate

Conditions

Conditions	Yield
With triethylamine In acetone at 40 - 65℃; for 12h;	97%

: 74-96-4
ethyl bromide

: 4093-28-1
methyl 4-acetamido-2-hydroxybenzoate

: 59-06-3
methyl 4-acetamido-2-ethoxybenzoate

Conditions

Conditions	Yield
With potassium carbonate In acetone for 14h; Heating;	80%
With sodium hydroxide In N,N-dimethyl-formamide

: 65-49-6
4-Aminosalicylic acid

: 59-06-3
methyl 4-acetamido-2-ethoxybenzoate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: sulfuric acid / 2 h / 20 °C 2: acetic acid / 1 h 3: sodium hydroxide / N,N-dimethyl-formamide View Scheme
Multi-step reaction with 3 steps 1: toluene-4-sulfonic acid / 3 h / 60 - 65 °C 2: acetylase / 2 h / 35 - 40 °C / pH 6.5 - 7.5 / Enzymatic reaction 3: triethylamine / acetone / 12 h / 40 - 65 °C View Scheme

: 4136-97-4
methyl 4-aminosalicylate

: 59-06-3
methyl 4-acetamido-2-ethoxybenzoate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: acetic acid / 1 h 2: sodium hydroxide / N,N-dimethyl-formamide View Scheme

: 59-06-3
methyl 4-acetamido-2-ethoxybenzoate

: 59-07-4
2-ethoxy-4-aminobenzoic acid

Conditions

Conditions	Yield
With sodium hydroxide; water for 16h; Heating / reflux;	100%
Stage #1: methyl 4-acetamido-2-ethoxybenzoate With sodium hydroxide; water for 16h; Heating / reflux; Stage #2: With hydrogenchloride In water at 0℃;	100%
With potassium hydroxide
With potassium hydroxide

: 59-06-3
methyl 4-acetamido-2-ethoxybenzoate

: 617245-68-8
4-amino-2-ethoxybenzoic acid lithium salt

Conditions

Conditions	Yield
With lithium hydroxide In tetrahydrofuran; water at 70℃; for 18h;	100%

: 59-06-3
methyl 4-acetamido-2-ethoxybenzoate

: 4235-43-2
4-Acetylamino-5-chloro-2-ethoxy-benzoic acid methyl ester

Conditions

Conditions	Yield
With N-chloro-succinimide In N,N-dimethyl-formamide at 70℃; for 2h;	97%
With N-chloro-succinimide In N,N-dimethyl-formamide at 70℃; for 3h; Yield given;
With N-chloro-succinimide In N,N-dimethyl-formamide

: 59-06-3
methyl 4-acetamido-2-ethoxybenzoate

: C12H12(2)H3NO4

Conditions

Conditions	Yield
With [(1,5-cyclooctadiene)Ir(1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene)(PPh3)]PF6; deuterium In dichloromethane at 20℃; for 2h; Sealed tube;	95%

: 59-06-3
methyl 4-acetamido-2-ethoxybenzoate

: C12H13(2)H2NO4

Conditions

Conditions	Yield
With [(1,5-cyclooctadiene)Ir(1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene)(PPh3)]PF6; deuterium In dichloromethane at 0℃; for 2h; Sealed tube;	95%

: 59-06-3
methyl 4-acetamido-2-ethoxybenzoate

: 483304-07-0
methyl 4-acetylamino-5-bromo-2-ethoxybenzoate

Conditions

Conditions	Yield
With N-Bromosuccinimide In N,N-dimethyl-formamide at 80℃; for 3.5h;	94%
With N-Bromosuccinimide In N,N-dimethyl-formamide

: 23056-40-8
2-chloro-5-methyl-3-nitro-pyridine

: 59-06-3
methyl 4-acetamido-2-ethoxybenzoate

: 4-(2,6-Dimethylimidazo[4,5-b]pyridin-3-yl)-2-ethoxybenzoic acid methyl ester

Conditions

Conditions	Yield
	84%

: 59-06-3
methyl 4-acetamido-2-ethoxybenzoate

: 483304-08-1
methyl 4-acetylamino-2-ethoxy-5-iodobenzoate

Conditions

Conditions	Yield
With sodium periodate; iodine In DMF (N,N-dimethyl-formamide) at 70℃; for 24h;	76%
With steareth-10 In N,N-dimethyl-formamide at 20 - 80℃; for 2.5h;	47%

: 609-73-4
o-nitroiodobenzene

: 59-06-3
methyl 4-acetamido-2-ethoxybenzoate

: 2-Ethoxy-4-(2-methyl-benzoimidazol-1-yl)-benzoic acid methyl ester

Conditions

Conditions	Yield
	76%

: 59-06-3
methyl 4-acetamido-2-ethoxybenzoate

: 1028126-84-2
C12H13N3O8

Conditions

Conditions	Yield
With nitric acid at 0 - 20℃; for 1.5h;	65%

: 59-06-3
methyl 4-acetamido-2-ethoxybenzoate

: 86718-16-3
methyl 4-(acetylamino)-2-ethoxy-5-nitrobenzoate

Conditions

Conditions	Yield
With nitric acid

: 59-06-3
methyl 4-acetamido-2-ethoxybenzoate

: 84923-73-9
4-amino-5-bromo-2-ethoxybenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 94 percent / NBS / dimethylformamide / 3.5 h / 80 °C 2: 98 percent / aq. NaOH / methanol / 4 h / Heating View Scheme
Multi-step reaction with 2 steps 1: N-Bromosuccinimide / N,N-dimethyl-formamide 2: sodium hydroxide / ethanol View Scheme

: 59-06-3
methyl 4-acetamido-2-ethoxybenzoate

: 483304-09-2
4-amino-2-ethoxy-5-iodobenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 47 percent / ICI / dimethylformamide / 2.5 h / 20 - 80 °C 2: 91 percent / aq. NaOH / methanol / Heating View Scheme

: 59-06-3
methyl 4-acetamido-2-ethoxybenzoate

: 4-amino-5-bromo-2-ethoxy-N-(1-ethyl-4-methyl-[1,4]diazepan-6-yl)-benzamide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 94 percent / NBS / dimethylformamide / 3.5 h / 80 °C 2: 98 percent / aq. NaOH / methanol / 4 h / Heating 3: EDC / CH2Cl2 / 20 °C View Scheme

: 59-06-3
methyl 4-acetamido-2-ethoxybenzoate

: 4-amino-2-ethoxy-N-(1-ethyl-4-methyl-[1,4]diazepan-6-yl)-5-iodo-benzamide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 47 percent / ICI / dimethylformamide / 2.5 h / 20 - 80 °C 2: 91 percent / aq. NaOH / methanol / Heating 3: EDC / CH2Cl2 / 20 °C View Scheme

: 59-06-3
methyl 4-acetamido-2-ethoxybenzoate

: 4-Acetylamino-5-amino-2-ethoxy-benzoic acid methyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: HNO3 2: H2 / Pd/C View Scheme

: 59-06-3
methyl 4-acetamido-2-ethoxybenzoate

: 213627-49-7
6-Ethoxy-1H-benzotriazole-5-carboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: HNO3 2: H2 / Pd/C 3: NaNO2, aq. HCl 4: aq. NaOH View Scheme

: 59-06-3
methyl 4-acetamido-2-ethoxybenzoate

: 213627-48-6
1-Acetyl-6-ethoxy-1H-benzotriazole-5-carboxylic acid methyl ester

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: HNO3 2: H2 / Pd/C 3: NaNO2, aq. HCl View Scheme

: 59-06-3
methyl 4-acetamido-2-ethoxybenzoate

: 6-Ethoxy-1H-benzotriazole-5-carboxylic acid (1-ethyl-azepan-3-yl)-amide

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: HNO3 2: H2 / Pd/C 3: NaNO2, aq. HCl 4: aq. NaOH 5: N,N'-carbonyldiimidazole View Scheme

: 59-06-3
methyl 4-acetamido-2-ethoxybenzoate

: 108282-38-8
4-amino-5-chloro-2-ethoxybenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: NCS / dimethylformamide / 3 h / 70 °C 2: 86.9 percent / 4N NaOH / methanol / 2 h / Heating View Scheme
Multi-step reaction with 2 steps 1: 97 percent / N-chlorosuccinimide (NCS) / dimethylformamide / 2 h / 70 °C 2: 99 percent / NaOH, H2O / ethanol / 5 h / Heating View Scheme
Multi-step reaction with 2 steps 1: N-chloro-succinimide / N,N-dimethyl-formamide 2: sodium hydroxide / ethanol View Scheme

: 59-06-3
methyl 4-acetamido-2-ethoxybenzoate

: 4-Amino-5-chloro-2-ethoxy-N-[2-(tetrahydro-pyrrolizin-7a-yl)-ethyl]-benzamide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: NCS / dimethylformamide / 3 h / 70 °C 2: 86.9 percent / 4N NaOH / methanol / 2 h / Heating 3: 1.) CDI / 1.) THF, 1 h, 2.) THF, reflux, 1 h View Scheme

: 59-06-3
methyl 4-acetamido-2-ethoxybenzoate

: 112914-03-1
methyl 4-amino-5-chloro-2-ethoxybenzoate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 97 percent / N-chlorosuccinimide (NCS) / dimethylformamide / 2 h / 70 °C 2: 99 percent / NaOH, H2O / ethanol / 5 h / Heating 3: 91 percent / thionyl chloride / 4 h / 0 - 20 °C View Scheme

: 59-06-3
methyl 4-acetamido-2-ethoxybenzoate

: 131322-25-3
methyl 5-chloro-2-ethoxy-4-(formylamino)benzoate

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 97 percent / N-chlorosuccinimide (NCS) / dimethylformamide / 2 h / 70 °C 2: 99 percent / NaOH, H2O / ethanol / 5 h / Heating 3: 91 percent / thionyl chloride / 4 h / 0 - 20 °C 4: 94 percent / acetic anhydride / 2.5 h / 50 °C View Scheme

: 59-06-3
methyl 4-acetamido-2-ethoxybenzoate

: 131322-26-4
5-chloro-2-ethoxy-4-(fromylamino)benzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 97 percent / N-chlorosuccinimide (NCS) / dimethylformamide / 2 h / 70 °C 2: 99 percent / NaOH, H2O / ethanol / 5 h / Heating 3: 91 percent / thionyl chloride / 4 h / 0 - 20 °C 4: 94 percent / acetic anhydride / 2.5 h / 50 °C 5: 82 percent / NaOH, H2O / ethanol / 1 h / 60 °C View Scheme

: 59-06-3
methyl 4-acetamido-2-ethoxybenzoate

: 112914-09-7
4-(acetylamino)-5-chloro-2-ethoxybenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 97 percent / N-chlorosuccinimide (NCS) / dimethylformamide / 2 h / 70 °C 2: 73 percent / NaOH, H2O / methanol / 1 h / 60 °C View Scheme

: 59-06-3
methyl 4-acetamido-2-ethoxybenzoate

: 112886-52-9
4-Amino-5-chloro-N-[4-(4-chloro-benzyl)-morpholin-2-ylmethyl]-2-ethoxy-benzamide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 97 percent / N-chlorosuccinimide (NCS) / dimethylformamide / 2 h / 70 °C 2: 99 percent / NaOH, H2O / ethanol / 5 h / Heating 3: 1-ethyl-3-<3-(dimethylamino)propyl>carbodiimide hydrochloride / CH2Cl2 / 4 h / Ambient temperature View Scheme

Ethopabate Chemical Properties

Empirical Formula: C₁₂H₁₅NO₄
Molecular Weight: 237.2518
EINECS: 200-414-3
Index of Refraction: 1.545
Density: 1.18 g/cm³
Flash Point: 211.5 °C
Melting point: 148-151 °C(lit.)
Storage tempreture: 0-6 °C
Enthalpy of Vaporization: 68.08 kJ/mol
Boiling Point: 426.1 °C at 760 mmHg
Vapour Pressure: 1.82E-07 mmHg at 25 °C
Appearance: White to pale buff powder
Structure of Ethopabate (CAS NO.59-06-3):

IUPAC Name: Methyl 4-acetamido-2-ethoxybenzoate
Canonical SMILES: CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)OC
InChI: InChI=1S/C12H15NO4/c1-4-17-11-7-9(13-8(2)14)5-6-10(11)12(15)16-3/h5-7H,4H2,1-3H3,(H,13,14)
InChIKey: GOVWOKSKFSBNGD-UHFFFAOYSA-N
Product Category of Ethopabate (CAS NO.59-06-3): Aromatic Esters

Ethopabate Uses

Ethopabate (CAS NO.59-06-3) is a coccidiostat used in poultry.

Ethopabate Specification

Ethopabate , its cas register number is 59-06-3. It also can be called Ethopabat ; 4-Acetamido-2-ethoxybenzoesaeuremethylester ; and Methyl 4-acetamido-2-ethoxybenzoate .

Product Name

Ethopabate

Synthetic route

Ethopabate Chemical Properties

Ethopabate Uses

Ethopabate Specification

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