Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate supplier

Name
Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate
EINECS 606-885-5
CAS No. 2199-51-1
Article Data55
CAS DataBase
Density 1.08 g/cm³
Solubility
Melting Point 122-123 °C
Formula C₉H₁₃NO₂
Boiling Point 291 °C at 760 mmHg
Molecular Weight 167.208
Flash Point 129.8 °C
Transport Information
Appearance red crystal
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Pyrrole-3-carboxylicacid, 2,4-dimethyl-, ethyl ester (6CI,7CI,8CI);2,4-Dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester;2,4-Dimethyl-3-(ethoxycarbonyl)pyrrole;2,4-Dimethyl-3-carbethoxypyrrole;3-(Ethoxycarbonyl)-2,4-dimethylpyrrole;Ethyl2,4-dimethylpyrrole-3-carboxylate;NSC 13425;
PSA 42.09000
LogP 1.80820

Synthetic route

: 86770-31-2
2-tert-butyl 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With hydrogenchloride; water In ethanol at 65℃; for 4h; Inert atmosphere;	99%
With hydrogenchloride; water In ethanol at 70℃; for 3h;	91%
With hydrogenchloride In ethanol; water at 65℃; for 1h;	89%

: 5442-91-1
3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid 4-ethyl ester

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
Temperature; Inert atmosphere;	98.5%
at 200℃; for 0.0833333h; Temperature; Inert atmosphere;	98.5%
Heating;	80%

: (E)-ethyl 3-((tert-butoxycarbonyl)(prop-2-yn-1-yl)amino)but-2-enoate

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With potassium tert-butylate In tetrahydrofuran at 70℃; for 0.0833333h; Inert atmosphere;	89%
Multi-step reaction with 2 steps 1: potassium tert-butylate / tetrahydrofuran / 0.17 h / 20 °C 2: potassium tert-butylate / tetrahydrofuran / 0.08 h / Reflux View Scheme
Multi-step reaction with 2 steps 1: potassium tert-butylate / tetrahydrofuran / 0.17 h / 20 °C 2: potassium tert-butylate / tetrahydrofuran / 0.08 h / Reflux View Scheme

: 817162-41-7
2,4-dimethylpyrrole-1,3-dicarboxylic acid 1-tert-butyl 3-ethyl ester

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With potassium tert-butylate In tetrahydrofuran for 0.0833333h; Reflux;	87%

: (E)-3-(2-Hydroxy-propylamino)-but-2-enoic acid ethyl ester

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); 2,4,6-trimethylphenyl bromide; potassium carbonate In N,N-dimethyl-formamide at 150℃; for 3h;	76%
With tetrakis(triphenylphosphine) palladium(0); 2,4,6-trimethylphenyl bromide; potassium carbonate In N,N-dimethyl-formamide at 150℃; for 3h;	76%

: C14H21NO4

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With potassium tert-butylate In tetrahydrofuran for 0.0833333h; Reflux;	73%

: 917-54-4
methyllithium

: 231609-63-5
ethyl 3-((N-methoxy-N-methylcarbamoyl)methylamino)crotonate

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
In tetrahydrofuran at -10℃; for 1h;	62%

: 1426858-39-0
(E)-4-diazo-3-methylbut-2-enoic acid ethyl ester

: 75-05-8
acetonitrile

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With silver hexafluoroantimonate In dichloromethane at 20℃; for 1h; Inert atmosphere;	15%

: 2436-79-5
diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With piperidine at 250℃; unter Wasserstoff;
With sodium hydroxide Erhitzen des bei 100grad getrockneten Reaktionsprodukts mit Glycerin;
Multi-step reaction with 2 steps 1: water; potassium hydroxide / ethanol / 10 h / 50 - 60 °C 2: Inert atmosphere View Scheme

: 68999-91-7
3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid 2-benzyl ester 4-ethyl ester

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With methanol; nickel at 110 - 120℃; under 73550.8 Torr; Hydrogenation;

: 2,4-dimethyl-5-(trimethyl-pyrrol-2-ylidenemethyl)-pyrrole-3-carboxylic acid ethyl ester

A: 3855-78-5
2,3,4-trimethyl-1H-pyrrole

B: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
bei der trockenen Destillation;

: 31915-82-9
(Z)-2-oxopropanal oxime

: 141-97-9
ethyl acetoacetate

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With sodium hydroxide; sodium dithionite

: 141-97-9
ethyl acetoacetate

: 306-44-5
propanone 1-oxime

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With acetic acid; zinc
Behandlung mit Zinkstaub in verd. Essigsaeure;

3.5-dimethyl-pyrrole-dicarboxylic acid-(2.4)-monoethyl ester-(4): 3.5-dimethyl-pyrrole-dicarboxylic acid-(2.4)-monoethyl ester-(4)

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
beim Erhitzen ueber den Schmelzpunkt;

: 141-97-9
ethyl acetoacetate

hydrochloride of aminoacetone: hydrochloride of aminoacetone

A: 17106-13-7
2,4-dimethyl-1H-pyrrole-3-carboxylic acid

B: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With sodium hydroxide

...Expand

: 7664-41-7
ammonia

: 141-97-9
ethyl acetoacetate

: 78-95-5
chloroacetone

A: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

B: 2199-52-2
2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

...Expand

: 141-97-9
ethyl acetoacetate

Ba(CN)2: Ba(CN)2

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 84 percent / molecular sieves 4 Angstroem / tetrahydrofuran / 168 h / 20 °C 2: 76 percent / Pd(PPh3)4; K2CO3; mesityl bromide / dimethylformamide / 3 h / 150 °C View Scheme

: 141-97-9
ethyl acetoacetate

diazonium-salt from 2-amino-phenylarsonic acid: diazonium-salt from 2-amino-phenylarsonic acid

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 84 percent / 4 Angstroem molecular sieves / tetrahydrofuran / 168 h / Ambient temperature 2: 76 percent / 2 molpercent Pd(PPh3)4, mesityl bromide, potassium carbonate / dimethylformamide / 3 h / 150 °C View Scheme

: 591-60-6
butyl acetoacetate

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: acetic acid; aqueous NaNO2 / Erwaermen des Reaktionsgemisches mit Acetessigsaeure-aethylester, Zink-Pulver und Essigsaeure 2: Raney nickel; methanol / 110 - 120 °C / 73550.8 Torr / Hydrogenation View Scheme

: 62054-49-3
ethyl (E)-3-formyl-2-butenoate

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: dichloromethane / 0 °C / Inert atmosphere 2: triethylamine; 1,8-diazabicyclo[5.4.0]undec-7-ene / dichloromethane / 0.17 h / 0 °C / Inert atmosphere 3: silver hexafluoroantimonate / dichloromethane / 1 h / 20 °C / Inert atmosphere View Scheme

: C14H18N2O4S

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: triethylamine; 1,8-diazabicyclo[5.4.0]undec-7-ene / dichloromethane / 0.17 h / 0 °C / Inert atmosphere 2: silver hexafluoroantimonate / dichloromethane / 1 h / 20 °C / Inert atmosphere View Scheme

: 141-97-9
ethyl acetoacetate

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: acetic acid; sodium nitrite / 3.5 h / 10 - 25 °C 1.2: 2 h / 75 °C 2.1: hydrogenchloride / ethanol; water / 4 h / Reflux View Scheme
Multi-step reaction with 2 steps 1.1: sodium nitrite; acetic acid / 3.5 h / 8 - 20 °C 1.2: 2 h / Heating 2.1: hydrogenchloride; water / 4 h / 65 °C View Scheme
Multi-step reaction with 3 steps 1: neat (no solvent) / 2 h / 20 °C 2: dmap / acetonitrile / 3 h / 50 °C / Inert atmosphere 3: potassium tert-butylate / tetrahydrofuran / 0.08 h / 70 °C / Inert atmosphere View Scheme
Multi-step reaction with 4 steps 1: neat (no solvent) / 2 h / 20 °C 2: dmap / acetonitrile / 3 h / 50 °C / Inert atmosphere 3: potassium tert-butylate / tetrahydrofuran / 0.17 h / 20 °C 4: potassium tert-butylate / tetrahydrofuran / 0.08 h / Reflux View Scheme
Multi-step reaction with 4 steps 1: neat (no solvent) / 2 h / 20 °C 2: dmap / acetonitrile / 3 h / 50 °C / Inert atmosphere 3: potassium tert-butylate / tetrahydrofuran / 0.17 h / 20 °C 4: potassium tert-butylate / tetrahydrofuran / 0.08 h / Reflux View Scheme

: 141-97-9
ethyl acetoacetate

: 78-96-6, 1674-56-2
3-amino-2-propanol

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
Stage #1: ethyl acetoacetate; 3-amino-2-propanol In tetrahydrofuran at 20℃; for 168h; Molecular sieve; Inert atmosphere; Stage #2: With tetrakis(triphenylphosphine) palladium(0); 2,4,6-trimethylphenyl bromide; potassium carbonate In N,N-dimethyl-formamide at 150℃; Inert atmosphere;

: 1379398-74-9
C9H13NO2

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: dmap / acetonitrile / 3 h / 50 °C / Inert atmosphere 2: potassium tert-butylate / tetrahydrofuran / 0.08 h / 70 °C / Inert atmosphere View Scheme
Multi-step reaction with 3 steps 1: dmap / acetonitrile / 3 h / 50 °C / Inert atmosphere 2: potassium tert-butylate / tetrahydrofuran / 0.17 h / 20 °C 3: potassium tert-butylate / tetrahydrofuran / 0.08 h / Reflux View Scheme
Multi-step reaction with 3 steps 1: dmap / acetonitrile / 3 h / 50 °C / Inert atmosphere 2: potassium tert-butylate / tetrahydrofuran / 0.17 h / 20 °C 3: potassium tert-butylate / tetrahydrofuran / 0.08 h / Reflux View Scheme

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

: 2199-59-9
ethyl (5-formyl-2,4-dimethyl-1H-pyrrole)-3-carboxylate

Conditions

Conditions	Yield
With hydrogenchloride In N-methyl-acetamide; (2S)-N-methyl-1-phenylpropan-2-amine hydrate; dichloromethane; trichlorophosphate	100%
With hydrogenchloride In N-methyl-acetamide; (2S)-N-methyl-1-phenylpropan-2-amine hydrate; dichloromethane; trichlorophosphate	100%
With hydrogenchloride In N-methyl-acetamide; (2S)-N-methyl-1-phenylpropan-2-amine hydrate; dichloromethane; trichlorophosphate	100%

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: 2199-59-9
ethyl (5-formyl-2,4-dimethyl-1H-pyrrole)-3-carboxylate

Conditions

Conditions	Yield
Stage #1: 2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester; N,N-dimethyl-formamide With trichlorophosphate In dichloromethane for 1.5h; Vilsmeier-Haack Formylation; Reflux; Stage #2: With sodium hydroxide In dichloromethane; water for 0.5h; Vilsmeier-Haack Formylation; Reflux;	100%
Stage #1: 2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester; N,N-dimethyl-formamide With trichlorophosphate In dichloromethane Vilsmeier formylation; Inert atmosphere; Stage #2: With sodium hydrogencarbonate In water	99%
Stage #1: 2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester; N,N-dimethyl-formamide With trichlorophosphate In dichloromethane at 4℃; for 1.25h; Reflux; Stage #2: With hydrogenchloride In dichloromethane; water at 10℃;	97%

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

: 7291-01-2
N,N-dimethyl-4-nitrobenzamide

: 63833-38-5
2,4-dimethyl-5-(4-nitro-benzoyl)-pyrrole-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With trichlorophosphate In 1,2-dichloro-ethane at 35℃; Rate constant; measurement of the rate and half reaction time of the Vilsmeier-Haak reaction; investigation of the influence of POCl3 molar quantity on the reaction rate;	96%
With hydrogenchloride; sodium carbonate; trichlorophosphate at 35℃;	96%

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

: Trimethyl-((1Z,4Z,9Z,15Z)-3,8,13,18-tetraethyl-2,7,12,17-tetramethyl-porphyrin-5-ylmethyl)-ammonium; iodide

: 2,4-Dimethyl-5-((1Z,4Z,9Z,15Z)-3,8,13,18-tetraethyl-2,7,12,17-tetramethyl-porphyrin-5-ylmethyl)-1H-pyrrole-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
In dichloromethane at 20 - 40℃;	94%

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

: Dimethyl-((1Z,4Z,9Z,15Z)-3,8,13,18-tetraethyl-2,7,12,17-tetramethyl-porphyrin-5-ylmethyl)-amine

: 2,4-Dimethyl-5-((1Z,4Z,9Z,15Z)-3,8,13,18-tetraethyl-2,7,12,17-tetramethyl-porphyrin-5-ylmethyl)-1H-pyrrole-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With methyl iodide In dichloromethane at 40℃; Substitution;	94%

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

: 117450-55-2
3-Benzyl-2-chloro-5,6-dihydro-4H-[1,3]thiazin-3-ium; chloride

: 3-Benzyl-2-(3-ethoxycarbonyl-2,4-dimethylpyrrol-5-yl)-5,6-dihydro-4H-1,3-thiazinium-chlorid

Conditions

Conditions	Yield
In benzene for 3h; Heating;	93%

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

: 90-02-8
salicylaldehyde

: 77476-68-7
5,5'-(2-Hydroxyphenylmethylen)bis<2,4-dimethyl-3-pyrrolcarbonsaeure-ethylester>

Conditions

Conditions	Yield
With hydrogen bromide In acetic acid	93%

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

: 17106-13-7
2,4-dimethyl-1H-pyrrole-3-carboxylic acid

Conditions

Conditions	Yield
With water; potassium hydroxide In methanol Reflux;	92%
Stage #1: 2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester With water; potassium hydroxide In methanol Reflux; Stage #2: With hydrogenchloride In water pH=3 - 4;	76%
With alkaline solution
With lithium hydroxide monohydrate In 1,4-dioxane; water at 100℃; for 24h;	7.4 mg

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

: 1468-28-6
4-benzoylmorpholine

: 63833-46-5
ethyl 5-benzoyl-2,4-dimethylpyrrole-3-carboxylate

Conditions

Conditions	Yield
With trichlorophosphate In 1,2-dichloro-ethane at 35℃; Rate constant; measurement of the rate and half reaction time of the Vilsmeier-Haak reaction;	92%
With hydrogenchloride; sodium carbonate; trichlorophosphate at 35℃;	92%

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

: 611-74-5
N,N-dimethylbenzamide

: 63833-46-5
ethyl 5-benzoyl-2,4-dimethylpyrrole-3-carboxylate

Conditions

Conditions	Yield
With hydrogenchloride; sodium carbonate; trichlorophosphate at 35℃;	92%
With trichlorophosphate In 1,2-dichloro-ethane at 35℃; Rate constant; measurement of the rate and half reaction time of the Vilsmeier-Haak reaction;	92%

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

: 95-01-2
2,4-Dihydroxybenzaldehyde

: 77476-61-0
2-(2,4-Dihydroxyphenylmethylen)-4-ethoxycarbonyl-3,5-dimethylpyrroliumbromid

Conditions

Conditions	Yield
With hydrogen bromide In acetic acid	92%

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

: 32488-43-0
N,N-dimethylform-13C-amide

: 1194048-24-2
ethyl 5-[13C]formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

Conditions

Conditions	Yield
Stage #1: 2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester; N,N-dimethylform-13C-amide With trichlorophosphate In dichloromethane at 4℃; for 1.25h; Reflux; Stage #2: With hydrogenchloride In dichloromethane; water at 10℃;	91%

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

: 719-98-2
2-((trifluoromethyl)thio)isoindoline-1,3-dione

: ethyl 2,4-dimethyl-5-((trifluoromethyl)thio)-1H-pyrrole-3-carboxylate

Conditions

Conditions	Yield
With sodium chloride In N,N-dimethyl-formamide at 90℃; for 14h; Inert atmosphere; Schlenk technique;	91%

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

: 7504-58-7
N-(4-methoxybenzoyl)morpholine

: 63833-34-1
5-(4-Methoxy-benzoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With hydrogenchloride; sodium carbonate; trichlorophosphate at 35℃;	90%
With trichlorophosphate In 1,2-dichloro-ethane at 35℃; Rate constant; measurement of the rate and half reaction time of the Vilsmeier-Haak reaction;	90%

: 2199-51-1
2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester

: 7291-02-3
3-nitro-N,N-dimethylbenzamide

: 63833-39-6
2,4-dimethyl-5-(3-nitro-benzoyl)-pyrrole-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With hydrogenchloride; sodium carbonate; trichlorophosphate at 35℃;	90%
With trichlorophosphate In 1,2-dichloro-ethane at 35℃; Rate constant; measurement of the rate and half reaction time of the Vilsmeier-Haak reaction;	90%

Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate Specification

The Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate with CAS registry number of 2199-51-1 is also known as 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-, ethyl ester. The IUPAC name is Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate. It belongs to product categories of Pharmaceutial intermediates; Imidazoles, Pyrroles, Pyrazoles, Pyrrolidines; Intermediate of sunitinib malate. In addition, the formula is C₉H₁₃NO₂ and the molecular weight is 167.21.

Physical properties about Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate are: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 2.6; (5)ACD/BCF (pH 5.5): 55.64; (6)ACD/BCF (pH 7.4): 55.64; (7)ACD/KOC (pH 5.5): 617.94; (8)ACD/KOC (pH 7.4): 617.94; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 31.23Å²; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 46.74 cm³; (15)Molar Volume: 154.7 cm³; (16)Polarizability: 18.52×10^-24cm³; (17)Surface Tension: 39 dyne/cm; (18)Density: 1.08 g/cm³; (19)Flash Point: 129.8 °C; (20)Enthalpy of Vaporization: 53.04 kJ/mol; (21)Boiling Point: 291 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25 °C.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCOC(=O)C1=C(NC=C1C)C
2. InChI: InChI=1S/C9H13NO2/c1-4-12-9(11)8-6(2)5-10-7(8)3/h5,10H,4H2,1-3H3
3. InChIKey: QWSFDUPEOPMXCV-UHFFFAOYSA-N

Product Name

Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate

Synthetic route

Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate Specification

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