[ CAS No. 35445-32-0 ] {[proInfo.proName]}

Name: 35445-32-0|Ethyl 1,4-dimethyl-1H-imidazole-5-carboxylate|95%
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SKU: A117235
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Quality Control of [ 35445-32-0 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 35445-32-0 ]

Product Details of [ 35445-32-0 ]

CAS No. :	35445-32-0	MDL No. :	MFCD08703647
Formula :	C₈H₁₂N₂O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	KJDJAZWOHDBZSZ-UHFFFAOYSA-N
M.W :	168.19	Pubchem ID :	12685481
Synonyms :

Calculated chemistry of [ 35445-32-0 ]

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.5
Num. rotatable bonds :	3
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	44.54
TPSA :	44.12 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.64 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.97
Log Po/w (XLOGP3) :	0.97
Log Po/w (WLOGP) :	0.91
Log Po/w (MLOGP) :	0.26
Log Po/w (SILICOS-IT) :	0.94
Consensus Log Po/w :	1.01

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.6
Solubility :	4.18 mg/ml ; 0.0249 mol/l
Class :	Very soluble
Log S (Ali) :	-1.48
Solubility :	5.51 mg/ml ; 0.0328 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.66
Solubility :	3.69 mg/ml ; 0.0219 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.07

Safety of [ 35445-32-0 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 35445-32-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 35445-32-0 ]
Downstream synthetic route of [ 35445-32-0 ]

[ 35445-32-0 ] Synthesis Path-Upstream 1~4

1
[ 51605-32-4 ]
[ 74-88-4 ]
[ 35445-32-0 ]

Yield	Reaction Conditions	Operation in experiment
35%	With potassium carbonate In acetonitrileReflux	Ethyl 4-methyl-1 H-imidazole-5-carboxylate (463 mg, 3.00 mmol, 1 eq) was combined with iodomethane (0.19 mL, 3.00 mmol, 1 eq) and potassium carbonate (828 mg, 6.00 mmol, 2 eq) in acetonitrile and stirred overnight at reflux. The reaction mixture was cooled to ambient temperature, inorganics filtered off, and the filtrate concentrated to dryness. The residue was purified on an 80 g silica gel cartridge eluted with 100percent EtOAc to 10percent CH3OH/DCM to give the two regioisomeric products. The first eluting isomer was identified as the title compound (185 mg, 1.95 mmol, 35percent) by comparative NOESY and HMBC NMR. 1 H NMR (400 MHz, DMSO- d₆) δ ppm 7.74 (s, 1 H), 4.25 (q, J=7.14 Hz, 2 H), 3.76 (s, 3 H), 2.34 (s, 3 H), 1.30 (t, J=7.10 Hz, 3 H). LC-MS (ES⁺) m/z 169.08 [M+H]
31%	With sodium hydrogencarbonate In DMF (N,N-dimethyl-formamide) at 90℃; for 120 h;	ETHEI 1 4-DIMETHVL-1H-IMIDAZOLE-5-CARBOXYLATE] To a solution of the [AVAILABLE ETHYL 4-METHYL-1 H-IMIDAZOLE-5-CARBOXYLATE] (5.0 [G,] 32.5 [MMOL)] in DMF (50 mL) was added [NAHC03] (5.72 g, 2. [1EQ.)] and methyl iodide (2.43 [ML, 1.2 EQ. ). THE REACTION WAS STIRRED AT 90XB0;C DURING 5 DAYS. AFTER EVAPORATION OF THE] solvant, the residue was diluted in DCM and washed with water. The organic layer was dried over [NA2SO4] and evaporated off. After purification by flash chromatography using DCM as eluent, the title compound was obtained as a yellow oil (1.69 g, 0.01 mol) in [31percent] yield;'H NMR (CDCI3, 300 MHz) [6] 7.86 (s, 1H), 4.36 (q, 2H), 3.89 (s, 3H), 2.47 (s, 3H), 1.4 (t, 3H)

Reference： [1] Patent: WO2008/157273, 2008, A1, . Location in patent: Page/Page column 86
[2] Patent: WO2004/6922, 2004, A1, . Location in patent: Page/Page column 56
[3] Patent: US2004/122018, 2004, A1, . Location in patent: Page 465

2
[ 67-56-1 ]
[ 51605-32-4 ]
[ 35445-32-0 ]

Yield	Reaction Conditions	Operation in experiment
59.8%	With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 0 - 20℃; Inert atmosphere	To a mixture of ethyl 4-methyl-1H-imidazole-5-carboxylate (7.30 g, 45.9 mmol) in THF (60 mL) is added MeOH (2.23 mL, 55.1 mmol) and triphenylphosphine (14.8 g, 55.1 mmol). The reaction is cooled to 0° C. under N₂and diethyl azodicarboxylate (9.0 mL, 17.6 mmol) is added dropwise. The mixture is warmed to room temperature and stirred overnight. The volatiles are evaporated in vacuo. Ether (50 mL) is added. The mixture is stirred at room temperature for 30 minutes, filtered, the filter cake is washed with ether (50 mL). The filtrate and ether washings are combined and are sequentially washed with water (30 mL) and brine (30 mL). The organic phase is dried over Na₂SO₄, evaporated in vacuo to provide the crude product. The crude product is subjected to silica gel flash column eluting with 30percent EtOAc in hexanes to EtOAc to give the title compound (5.13 g, 59.8percent) as a yellow oil. LC/MS (m/z): 169 (M+H).

Reference： [1] Patent: US2018/194755, 2018, A1, . Location in patent: Paragraph 0069-0070

3
[ 51605-32-4 ]
[ 74-88-4 ]
[ 35445-32-0 ]
[ 74531-82-1 ]

Reference： [1] Journal of Organic Chemistry, 1982, vol. 47, # 1, p. 144 - 147

4
[ 51605-32-4 ]
[ 74-88-4 ]
[ 35445-32-0 ]
[ 74531-82-1 ]

Reference： [1] Chemical and Pharmaceutical Bulletin, 1994, vol. 42, # 7, p. 1463 - 1473

[ 35445-32-0 ] Synthesis Path-Downstream 1~25

1
[ 51605-32-4 ]
[ 74-88-4 ]
[ 35445-32-0 ]
[ 74531-82-1 ]

Reference： [1]Journal of Organic Chemistry,1982,vol. 47,p. 144 - 147

2
[ 51605-32-4 ]
[ 74-88-4 ]
[ 35445-32-0 ]
[ 74531-82-1 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1994,vol. 42,p. 1463 - 1473

5
[ 35445-32-0 ]
[ 19673-78-0 ]

Yield	Reaction Conditions	Operation in experiment
		[2758] To a stirred solution of compound 965 (680 mg) in 10 ml THF at -78° C. was added dropwise 1.0M LAH in THF (5.0 ml). Reaction was stirred and allowed to warm to room temperature overnight. Cooled reaction mixture to 0° C. then added 5 ml of H2O dropwise. Allowed reaction to warm to room temperature while stirring for 1 hr. Filtered through celite and rinsed with 20 ml THF/40 ml H2O. A clear filtrate obtained. Filtrate afforded compound 966.

Reference： [1]Patent: US2004/122018,2004,A1 .Location in patent: Page 465

6
[ 51605-32-4 ]
[ 74-88-4 ]
[ 35445-32-0 ]

Yield	Reaction Conditions	Operation in experiment
35%	With potassium carbonate; In acetonitrile;Reflux;	Ethyl 4-methyl-1 H-imidazole-5-carboxylate (463 mg, 3.00 mmol, 1 eq) was combined with iodomethane (0.19 mL, 3.00 mmol, 1 eq) and potassium carbonate (828 mg, 6.00 mmol, 2 eq) in acetonitrile and stirred overnight at reflux. The reaction mixture was cooled to ambient temperature, inorganics filtered off, and the filtrate concentrated to dryness. The residue was purified on an 80 g silica gel cartridge eluted with 100percent EtOAc to 10percent CH3OH/DCM to give the two regioisomeric products. The first eluting isomer was identified as the title compound (185 mg, 1.95 mmol, 35percent) by comparative NOESY and HMBC NMR. 1 H NMR (400 MHz, DMSO- d6) delta ppm 7.74 (s, 1 H), 4.25 (q, J=7.14 Hz, 2 H), 3.76 (s, 3 H), 2.34 (s, 3 H), 1.30 (t, J=7.10 Hz, 3 H). LC-MS (ES+) m/z 169.08 [M+H]
31%	With sodium hydrogencarbonate; In DMF (N,N-dimethyl-formamide); at 90℃; for 120h;	ETHEI 1 4-DIMETHVL-1H-IMIDAZOLE-5-CARBOXYLATE] To a solution of the [AVAILABLE ETHYL 4-METHYL-1 H-IMIDAZOLE-5-CARBOXYLATE] (5.0 [G,] 32.5 [MMOL)] in DMF (50 mL) was added [NAHC03] (5.72 g, 2. [1EQ.)] and methyl iodide (2.43 [ML, 1.2 EQ. ). THE REACTION WAS STIRRED AT 90XB0;C DURING 5 DAYS. AFTER EVAPORATION OF THE] solvant, the residue was diluted in DCM and washed with water. The organic layer was dried over [NA2SO4] and evaporated off. After purification by flash chromatography using DCM as eluent, the title compound was obtained as a yellow oil (1.69 g, 0.01 mol) in [31percent] yield;'H NMR (CDCI3, 300 MHz) [6] 7.86 (s, 1H), 4.36 (q, 2H), 3.89 (s, 3H), 2.47 (s, 3H), 1.4 (t, 3H)
		[2757] To a stirred solution of 964 (Ethyl 4-methyl-5-imidazole carboxylate, 7.7 g, 50 mmol) in 100 ml of acetone at room temperature, was added K2CO3 (6.9 g, 50 mmol) portionwise. Stirred at room temperature for 25 minutes, added in MeI (5 ml, 80 mmol) stirred for 21/2 h, (monitored reaction by TLC). Additional K2CO3 (3.09 g, 22 mmol) and MeI (3 ml) were added. Stirred reaction for 16 h, then filtered reaction mixture and rinsed with acetone (80 ml). A clear filtrate obtained. Filtrate was evaporated and the residue was chromatographed (eluent methylene chloride/methanol (60:1) to afford 1.8 g of solid. This solid was purified by Prep Plate chromatography ((20:1) CH2Cl2:MeOH NH3), compound still impure. Another column chromatography ((50:1) CH2Cl2:MeOH.NH3) was done to afford 383 mg of the desired product, compound 965.

Reference： [1]Patent: WO2008/157273,2008,A1 .Location in patent: Page/Page column 86
[2]Patent: WO2004/6922,2004,A1 .Location in patent: Page/Page column 56
[3]Patent: US2004/122018,2004,A1 .Location in patent: Page 465

7
[ 35445-32-0 ]
[ 113444-43-2 ]

Yield	Reaction Conditions	Operation in experiment
26%	With N-Bromosuccinimide; In acetonitrile; at 20℃;	ethyl [2-BROM-1,] [4-DIMETHYL-1] H-imidazole-5-carboxylate To a solution of intermediate 93 (1.69 [G,] 0.01 mol) in CH3CN (60 mL) was added [NBS (2.15 G, 1.2 EQ. ) AND THE REACTION WAS STIRRED AT RT FOR 1 NIGHT. AFTER EVAPORATION] of the solvant, the residue was dissolved in DCM and washed with water. The organic layer was dried over [NA2SO4] and evaporated off. After purification by flash chromatography using DCM/MeOH 90/10 as eluent, the title compound was obtained as yellow crystals (0.645 g, 2.6 [MMOL)] in 26percent yield ;'H NMR [(CDC13,] 300 MHz) [S] 4.55 (q, 2H), 4.09 (s, 3H), 2.69 (s, 3H), 1.61 (t, 3H)

Reference： [1]Patent: WO2004/6922,2004,A1 .Location in patent: Page/Page column 56

8
[ 35445-32-0 ]
[ 78449-67-9 ]

Yield	Reaction Conditions	Operation in experiment
62%		To a solution of <strong>[35445-32-0]ethyl 1,4-dimethyl-1H-imidazole-5-carboxylate</strong> (747 mg, 3.81 mmol) in methanol (26.6 mL)-THF (13.3 mL) was added 2M aqueous sodium hydroxide solution (6.7 mL, 13.4 mmol) at room temperature, and the mixture was stirred at room temperature overnight. To the reaction mixture was added ion exchange resin DOWEX 50WX8-100, adjusted to pH 4-5, and the resin was filtered off. The filtrate was concentrated under reduced pressure to give the title compound (397 mg) as a white solid (yield 62percent). 1H NMR (300 MHz, DMSO-d6) delta 2.33 (3H, s), 3.75 (3H, s), 7.67 (1H, s). * The peak of "COOH group" was not observed.

Reference： [1]Patent: EP2530078,2012,A1 .Location in patent: Page/Page column 148

9
[ 35445-32-0 ]
[ 1094346-39-0 ]

Yield	Reaction Conditions	Operation in experiment
52%	With hydrazine hydrate; In ethanol; for 32h;Reflux;	ethyl 1 ,4-dimethyl-1 H-imidazole-5-carboxylate (185 mg, 1.10 mmol, 1 eq) dissolved in ethanol (25 ml.) was treated with hydrazine hydrate (5 ml.) at reflux for 16 h with stirring. Additional hydrazine hydrate (20 ml.) was added to the reaction mixture and heated at reflux for an additional 16 h with stirring. The reaction mixture was concentrated to dryness, chased with twice with ethanol and twice with toluene, and pumped dry to give a white solid. The crude product was triturated wit 5percent CH3OH/DCM and filtered. The filtrate was concentrated to dryness and was purified on a 40 g silica gel cartridge eluted with 0 to 20percent CH3OH/DCM to give the title compound (90 mg, 0.58 mmol, 52percent) as a white solid. 1 H NMR (400 MHz, DMSO-d6) delta ppm 9.12 (br. s., 1 H), 7.56 (s, 1 H), 4.45 (br. s., 2 H), 3.64 (s, 3 H), 2.21 (s, 3 H).
	With hydrazine; In ethanol; water; at 100℃;	To a solution of <strong>[35445-32-0]ethyl 1,4-dimethyl-1H-imidazole-5-carboxylate</strong> (2.6 g, 14 mmol) in EtOH (16 mL) at room temperature is added hydrazine in water (4 mL, 102.9 mmol) slowly over 2 min The mixture is then stirred at 100° C. overnight. The mixture is concentrated and lyophilized to give the title compound (2.3 g, 97percent) as a white solid, which can be used without further purification. LC/MS (m/z): 155 (M+H).

Reference： [1]Patent: WO2008/157273,2008,A1 .Location in patent: Page/Page column 87
[2]Patent: US2018/194755,2018,A1 .Location in patent: Paragraph 0078-0079

10
[ 35445-32-0 ]
[ 1094342-63-8 ]

Reference： [1]Patent: WO2008/157273,2008,A1

11
[ 35445-32-0 ]
cis-racemic-3-chloro-N-[3-[[(3,5-dimethylimidazole-4-carbonyl)amino]carbamoyl]cyclohexyl]benzamide [ No CAS ]

Reference： [1]Patent: WO2018/14800,2018,A1

12
[ 35445-32-0 ]
cis-racemic-3-chloro-N-[3-[5-(3,5-dimethylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]cyclohexyl]benzamide hydrochloride [ No CAS ]

Reference： [1]Patent: WO2018/14800,2018,A1

13
[ 35445-32-0 ]
cis-racemic-3-chloro-N-[3-[5-(3,5-dimethylimidazol-4-yl)-4H-1,2,4-triazol-3-yl]cyclohexyl]benzamide [ No CAS ]

Reference： [1]Patent: WO2018/14800,2018,A1

14
[ 35445-32-0 ]
sodium 3,5-dimethylimidazole-4-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
99.6%	With sodium hydroxide; In ethanol; water; at 60℃; for 1h;	Add NaOH (0.451 g, 10.7 mmol) to a solution of ethyl 3,5-dimethylimidazole-4- carboxylate (1.00 g, 5.35 mmol) in EtOH (5 mL) and water (5 mL). Stir the reaction mixture at 60 °C for 1 hr. Concentrate the solution to give the title compound (0.960 g, 99.6percent) as a yellow solid. LC/MS (mlz): 141 (M-21).

Reference： [1]Patent: WO2018/14800,2018,A1 .Location in patent: Page/Page column 11

15
[ 67-56-1 ]
[ 51605-32-4 ]
[ 35445-32-0 ]

Yield	Reaction Conditions	Operation in experiment
59.8%	With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; at 0 - 20℃;Inert atmosphere;	To a mixture of ethyl 4-methyl-1H-imidazole-5-carboxylate (7.30 g, 45.9 mmol) in THF (60 mL) is added MeOH (2.23 mL, 55.1 mmol) and triphenylphosphine (14.8 g, 55.1 mmol). The reaction is cooled to 0° C. under N2 and diethyl azodicarboxylate (9.0 mL, 17.6 mmol) is added dropwise. The mixture is warmed to room temperature and stirred overnight. The volatiles are evaporated in vacuo. Ether (50 mL) is added. The mixture is stirred at room temperature for 30 minutes, filtered, the filter cake is washed with ether (50 mL). The filtrate and ether washings are combined and are sequentially washed with water (30 mL) and brine (30 mL). The organic phase is dried over Na2SO4, evaporated in vacuo to provide the crude product. The crude product is subjected to silica gel flash column eluting with 30percent EtOAc in hexanes to EtOAc to give the title compound (5.13 g, 59.8percent) as a yellow oil. LC/MS (m/z): 169 (M+H).

Reference： [1]Patent: US2018/194755,2018,A1 .Location in patent: Paragraph 0069-0070

16
[ 35445-32-0 ]
cis-N-[2-[2-(1,4-dimethyl-1H-imidazole-5-carbonyl)hydrazine-1-carbonyl]tetrahydro-2H-pyran-4-yl]-N-methyl-3-(trifluoromethoxy)benzamide [ No CAS ]

Reference： [1]Patent: US2018/194755,2018,A1

17
[ 35445-32-0 ]
cis-N-[2-[5-(1,4-dimethyl-1H-imidazol-5-yl)-1,3,4-oxadiazol-2-yl]tetrahydro-2H-pyran-4-yl]-N-methyl-3-(trifluoromethyl)benzamide [ No CAS ]

Reference： [1]Patent: US2018/194755,2018,A1

18
[ 35445-32-0 ]
N-{(2S,4R)-2-[4-benzyl-5-(1,4-dimethyl-1H-imidazol-5-yl)-4H-1,2,4-triazol-3-yl]tetrahydro-2H-pyran-4-yl}-N-methyl-3-(trifluoromethyl)benzamide [ No CAS ]

Reference： [1]Patent: US2018/194755,2018,A1

19
[ 35445-32-0 ]
cis-N-[2-[5-(1,4-dimethyl-1H-imidazol-5-yl)-1,3,4-oxadiazol-2-yl]tetrahydro-2H-pyran-4-yl]-N-methyl-3-(trifluoromethoxy)benzamide [ No CAS ]

Reference： [1]Patent: US2018/194755,2018,A1

20
[ 35445-32-0 ]
cis-N-[2-[5-(1,4-dimethyl-1H-imidazol-5-yl)-4H-1,2,4-triazol-3-yl]tetrahydro-2H-pyran-4-yl]-N-methyl-3-(trifluoromethyl)benzamide [ No CAS ]

Reference： [1]Patent: US2018/194755,2018,A1
[2]Patent: US2018/194755,2018,A1

21
[ 35445-32-0 ]
N-{(2S,4R)-2-[5-(1,4-dimethyl-1H-imidazol-5-yl)-4H-1,2,4-triazol-3-yl]tetrahydro-2H-pyran-4-yl}-N-methyl-3-(trifluoromethyl)benzamide 4-methylbenzenesulfonate [ No CAS ]

Reference： [1]Patent: US2018/194755,2018,A1
[2]Patent: US2018/194755,2018,A1

22
[ 35445-32-0 ]
ethyl 2-cyano-1,4-dimethyl-1H-imidazole-5-carboxylate [ No CAS ]

Reference： [1]Patent: WO2021/7477,2021,A1

23
[ 35445-32-0 ]
2-ethynyl-1,4-dimethyl-1H-imidazole-5-carboxylic acid [ No CAS ]

Reference： [1]Patent: WO2021/7477,2021,A1

24
[ 35445-32-0 ]
(x)C₂HF₃O₂*C₂₀H₁₆N₆O [ No CAS ]

Reference： [1]Patent: WO2021/7477,2021,A1

25
[ 51605-32-4 ]
[ 74-88-4 ]
[ 35445-32-0 ]

Yield	Reaction Conditions	Operation in experiment
23%		To a solution of NaH (778.38 mg, 19.46 mmol, 60% purity) in DMF (25 mL) was added ethyl 5-methyl-1H-imidazole-4-carboxylate (2 g, 12.97 mmol) at 0 C. The mixture was stirred at 0 C for 1 hr; MeI (2.76 g, 19.46 mmol, 1.21 mL) was then added at 0 C. The mixture was stirred at 25 C for 12 hrs and monitored by TLC (CHCl2 : MeOH=10:1). The reaction mixture was quenched by addition of 10 mL of H2O at 20 C. The mixture was then concentrated under reduced pressure to remove solvent. Then the mixture diluted with H2O (30 mL) and extracted with EtOAc (50 mL x 8). The combined organic layers were dried over Na2SO4, filtered and concentrated under reduced pressure to give a residue. The residue was purified by column chromatography (SiO2, petroleum ether/MeOH=1/0 to 0/1) to afford ethyl 1,5-dimethyl-1H-imidazole-4-carboxylate (1.8 g, 3.83 mmol, 30% yield) as an orange solid and the title compound (500 mg, 2.97 mmol, 23% yield) as a yellow oil.

Reference： [1]Patent: WO2021/7477,2021,A1 .Location in patent: Page/Page column 148; 149

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P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 35445-32-0 ] {[proInfo.proName]}

Quality Control of [ 35445-32-0 ]

Related Doc. of [ 35445-32-0 ]

Product Details of [ 35445-32-0 ]

Calculated chemistry of [ 35445-32-0 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 35445-32-0 ]

Application In Synthesis of [ 35445-32-0 ]

[ 35445-32-0 ] Synthesis Path-Upstream 1~4

[ 35445-32-0 ] Synthesis Path-Downstream 1~25

Related Functional Groups of [ 35445-32-0 ]

Esters

Related Parent Nucleus of [ 35445-32-0 ]

Imidazoles

Precautionary Statements-General

Prevention

Response

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Disposal

Physical hazards

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Inquiry

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[ 35445-32-0 ]

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[ 35445-32-0 ]