[ CAS No. 95470-42-1 ] {[proInfo.proName]}

Name: 95470-42-1|Ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate|97%
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Quality Control of [ 95470-42-1 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 95470-42-1 ]

CAS No. :	95470-42-1	MDL No. :	MFCD09033863
Formula :	C₇H₉BrN₂O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	LYNIJZZYBZLQCU-UHFFFAOYSA-N
M.W :	233.06	Pubchem ID :	13558224
Synonyms :

Calculated chemistry of [ 95470-42-1 ]

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.43
Num. rotatable bonds :	3
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	47.34
TPSA :	54.98 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.27 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.82
Log Po/w (XLOGP3) :	2.04
Log Po/w (WLOGP) :	1.66
Log Po/w (MLOGP) :	0.69
Log Po/w (SILICOS-IT) :	2.23
Consensus Log Po/w :	1.69

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.68
Solubility :	0.486 mg/ml ; 0.00209 mol/l
Class :	Soluble
Log S (Ali) :	-2.82
Solubility :	0.351 mg/ml ; 0.0015 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.96
Solubility :	0.254 mg/ml ; 0.00109 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.37

Safety of [ 95470-42-1 ]

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 [ 95470-42-1 ]

* 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 [ 95470-42-1 ]
Downstream synthetic route of [ 95470-42-1 ]

[ 95470-42-1 ] Synthesis Path-Upstream 1~2

1
[ 51605-32-4 ]
[ 95470-42-1 ]

Yield	Reaction Conditions	Operation in experiment
73%	With N-Bromosuccinimide In chloroform; acetonitrile at 20℃; for 18 h; Inert atmosphere	Ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate (EV-AT8648-001)– Step 1 To a stirred solution of ethyl 4-methyl-1H-imidazole-5-carboxylate (CAS 51605-32- 4, 500 mg, 3.24 mmol) in acetonitrile (10 ml) and chloroform (10 ml) was added N- bromosuccinimide (577 mg, 3.24 mmol) and the reaction stirred under a nitrogen atmosphere at room temperature for 18h. The reaction mixture was concentrated and the residue was purified by flash column chromatography (10-100percent ethyl acetate/heptane) to afford 560 mg (73percent) of ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate (EV-AT8648-001) as an off-white solid. LCMS (method D): retention time 0.87 min, M/z = 233/235 (M + 1).
63%	With N-Bromosuccinimide In acetonitrile at 0 - 20℃; for 16 h;	To a solution of ethyl 4-methyl-5-imidazole carboxylate (10 g, 64.86 mmol) in acetonitrile (150 ml) was added W-bromosuccinimide (12.7 g, 71.35 mmol) at 0⁰C and the temperature was slowly elevated to the room temperature before stirring the solution for 16 hrs . After the completion of the reaction, the reaction mixture was added with water, extracted twice with ethyl acetate and washed with brine. The extract was dried over magnesium sulfate (MgSO₄) and filtered, followed by the vacuum concentration of the filtrate. The purification of the concentrate through silica gel column chromatography (hexene:ethylacetate=2 : 1) afforded the title compound as a white solid (9.5 g, 63percent).¹H-NMROOO MHz, CDCl₃) σ 1.34 (t, 3H), 2.53 (s, 3H), 4.34 (q, 2H); MS 234 (M⁺) .
62%	With N-Bromosuccinimide In chloroform; acetonitrile for 20 h;	A. To a stirred suspension of ethyl 4-methyl-1H-imidazole-5-carboxylate (2.00 g, 13.0 mmol) in acetonitrile (25 mL) and chloroform (25 mL) was added N-bromosuccinimide (2.31 g, 13.0 mmol). The reaction mixture was stirred under nitrogen atmosphere for 20 h, then concentrated in vacuo. The residue was dissolved in ethyl acetate (100 mL) and washed with saturated aqueous sodium bicarbonate (50 mL). The organic layer was dried over sodium sulfate, filtered and concentrated in vacuo. The residue was purified by column chromatography eluding with 50percent ethyl acetate in hexanes to afford ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate as a light yellow solid (1.88 g, 62percent): ¹H NMR (300 MHz, CDCl₃) δ 4.35 (q, J=7.1 Hz, 2H), 2.51 (s, 3H), 1.37 (t, J=7.1 Hz, 3H); MS (ES+) m/z 233.1 (M+1), 235.1 (M+1).

3.6 g	With N-Bromosuccinimide In acetonitrile at 20℃; for 3 h;	(1) Ethyl 4-methyl-1H-imidazole-5-carboxylate (7.5 g, 48.7mmol) was dissolved in acetonitrile (120 mE), N-bromosuccinimide (10.4 g, 58.4 mmol) was added thereto, and then themixture was stirred at room temperature for 3 hours. Afier thereaction, saturated aqueous sodium hydrogen carbonate wasadded and the mixture was extracted twice with ethyl acetate.Afier washing with saturated aqueous sodium chloride, theorganic layer was dried over anhydrous sodium sulfate. Afterconcentrating the organic layer, the residue was purified bycolunm chromatography to obtain ethyl 2-bromo-4-methyl-1 H-imidazole-5-carboxylate (3.6 g):(3H, s), 1.37 (3H, t, J=7.i Hz);j0127] iH.NMR (CDC13) ö: 4.35 (2H, q, J=7.i Hz), 2.51j0128] ESI-MS mlz=233 (M+H).
3.6 g	With N-Bromosuccinimide In acetonitrile at 20℃; for 3 h;	(1) Ethyl 5-methyl-1H-imidazole-4-carboxylate (Sigma-Aldrich Co., Ltd.) (7.5g, 48.7mmol) in acetonitrile (120mLWas dissolved in), there N-bromosuccinimide (10.4g, 58.4mmol) added The mixture was stirred at room temperature for 3 hours on. After the reaction, a saturated sodium hydrogen carbonate aqueous solution was added, with ethyl acetateIt was extracted twice. The organic layer was washed with saturated brine, and dried with anhydrous sodium sulfate. concentratedAfter it was purified by column chromatography, ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate
3.6 g	With N-Bromosuccinimide In acetonitrile at 20℃; for 3 h;	(1) Ethyl 4-methyl-1H-imidazole-5-carboxylate (7.5 g, 48.7 mmol) was dissolved in acetonitrile (120 mL), N-bromosuccinimide (10.4 g, 58.4 mmol) was added thereto, and the mixture was stirred at room temperature for 3 hours. After the reaction, saturated aqueous sodium hydrogen carbonate was added and the mixture was extracted twice with ethyl acetate. After washing the organic layer with saturated aqueous sodium chloride, it was dried over anhydrous sodium sulfate. After concentrating the organic layer, the residue was purified by column chromatography to obtain ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate (3.6 g): ¹H-NMR (CDCl₃) δ: 4.35 (2H, q, J=7.1 Hz), 2.51 (3H, s), 1.37 (3H, t, J=7.1 Hz).

Reference： [1] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 12, p. 3669 - 3674
[2] Patent: WO2017/147102, 2017, A1, . Location in patent: Paragraph 00167-00168
[3] Patent: WO2008/111794, 2008, A1, . Location in patent: Page/Page column 27
[4] Patent: US2009/156615, 2009, A1, . Location in patent: Page/Page column 19
[5] Patent: US2015/284358, 2015, A1, . Location in patent: Paragraph 0126; 0127; 0128
[6] Patent: JP2015/214527, 2015, A, . Location in patent: Paragraph 0140; 0141; 0142
[7] Patent: US2017/144987, 2017, A1, . Location in patent: Paragraph 0060-0061

2
[ 51605-32-4 ]
[ 95470-42-1 ]

Yield	Reaction Conditions	Operation in experiment
3.6 g	With N-Bromosuccinimide In acetonitrile at 20℃; for 3 h;	Ethyl 5-methyl-1H-imidazole-4-carboxylate (produced by Sigma-Aldrich Co.) (7.5 g, 48.7 mmol) was dissolvedin acetonitrile (120 mL), N-bromosuccinimide (10.4 g, 58.4 mmol) was added thereto, and the reaction mixture wasstirred at room temperature for 3 hours. After the reaction was complete, a saturated aqueous sodium bicarbonatesolution was added, and the reaction mixture was extracted twice with ethyl acetate. The organic layer was washed witha saturated aqueous sodium chloride solution and, thereafter, dried over anhydrous sodium sulfate. After concentration,the residue was purified by silica gel column chromatography to obtain ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate(3.6 g): 1H-NMR (CDCl3) δ: 4.35 (2H, q, J=7.1 Hz), 2.51 (3H, s), 1.37 (3H, t, J=7.1 Hz); ESI-MS m/z=233 (M+H)+.

Reference： [1] Patent: EP3144306, 2017, A1, . Location in patent: Paragraph 0083; 0084

[ 95470-42-1 ] Synthesis Path-Downstream 1~50

1
[ 95470-42-1 ]
[ 113444-49-8 ]

Reference： [1]Synthetic Communications,1987,vol. 17,p. 1409 - 1412

2
5-methyl-imidazole-carboxylic acid-⁽⁴⁾-ethyl ester [ No CAS ]
[ 95470-42-1 ]

Reference： [1]Journal of the Chemical Society,1923,vol. 123,p. 501

3
[ 95470-42-1 ]
[ 113444-53-4 ]

Reference： [1]Synthetic Communications,1987,vol. 17,p. 1409 - 1412

4
[ 95470-42-1 ]
[ 74-88-4 ]
[ 113444-43-2 ]

Yield	Reaction Conditions	Operation in experiment
65%		A solution of 2-bromo-4-methyl-lH-imidazole-5- carboxylic acid ethyl ester (1.0 g, 4.29 mmol) in dimethylformamide (DMF, 30 ml) was cooled to O0C, added with 60percent sodium hydride (NaH, 343 mg, 8.58 mmol) and stirred for 30 min. Iodomethane (0.8 ml, 12.87 mmol) was slowly added in droplets to the resulting solution which was then heated from 00C to room temperature with stirring for 4 hrs and added with water, followed by extraction with ethyl acetate. The extract was dried over MgSO4, filtered and concentrated in a vacuum. The purification of the concentrate thus obtain through silica gel column chromatography(hexane : ethyl acetate=5:l) afforded the object compound as a white solid (693 mg, 2.81 mmol, 65percent) . 1H-NMROOO MHz, CDCl3) sigma 1.38 (t, 3H, J = 7.1 Hz) ,2.46(s, 3H) , 3.88(s, 3H) , 4.33(q, 2H, J = 7.1 Hz); <n="46"/>MS 246 (M+) .

Reference： [1]Patent: WO2008/111794,2008,A1 .Location in patent: Page/Page column 44-45

5
[ 109-92-2 ]
[ 95470-42-1 ]
N-(1-ethoxyethyl)-2-bromo-4-methyl-1H-imidazole-5-carboxylic acid ethyl ester [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
93%		To a solution of ethyl vinylether (6.6 ml, 68.65 mmol) in methylene chloride (CH2Cl2, 20 ml) was added trifluoroacetic acid (3 mmolpercent) at 00C at which reaction was conducted for 5 min, followed by mixing with a solution of the compound (8 g, 34.33 mmol) of Preparation Example 1 in CH2Cl2OO ml) . Reaction at room temperature for 3 hrs was precedent to the addition of water to the reaction mixture which was then extracted twice with CH2Cl2 and washed with saturated brine . The extract was dried over magnesium sulfate (MgSO4) and filtered, followed by the vacuum concentration of the filtrate. The purification of the concentrate through silica gel column chromatography (hexene:ethylacetate=2 : 1) afforded the title compound as a colorless oil (9.8 g, 93percent).1H-NMROOO MHz, CDCl3) sigma 5.68(q, IH), 4.37 (q, 2H), 3.44-3.35(m, 2H), 2.71(s, 3H), 1.67 (d, 3H), 1.39(t, 3H), 1.20 (t, 3H) ;MS 304 (M+) .

Reference： [1]Patent: WO2008/111794,2008,A1 .Location in patent: Page/Page column 28

6
[ 100-44-7 ]
[ 95470-42-1 ]
N-benzyl-2-bromo-4-methyl-1H-imidazole-5-carboxylic acid ethyl ester [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
65%		After the addition of K2CO3(1.05 g, 7.63 mmol) thereto, a solution of 2-bromo-4-methyl-lH-imidazole-5-carboxylic acid ethyl ester (1.2 g, 5.08 mmol) in DMF (45 ml) was stirred at room temperature for 30 min and mixed with benzyl chloride (0.7 ml, 6.10 mmol). The reactants were induced to react therewith by elevating the temperature to 120°C with stirring for 8 hrs. After the completion of reaction, the reaction mixture was cooled and added with water. Then, extraction with ethyl acetate was precedent to drying over MgSO4, followed by filtration and vacuum concentration. Through silica gel column chromatography (hexane : ethyl acetate = 8:1), the concentrate thus obtained was purified to the object compound as a white solid (1.06 g, 3.28 mmol, 65percent) . <n="49"/>1H-NMROOO MHz, CDCl3) sigma 1.40 (t, 3H, J = 7.1 Hz) , 2.48(s, 3H) , 4.37(q, 2H, J = 7.1 Hz) , 5.17(s, 2H) , 7.03 (m, 2H) , 7.32 (m, 3H) ;MS 323 (M+) .

Reference： [1]Patent: WO2008/111794,2008,A1 .Location in patent: Page/Page column 47-48

7
[ 51605-32-4 ]
[ 95470-42-1 ]

Yield	Reaction Conditions	Operation in experiment
73%	With N-Bromosuccinimide; In chloroform; acetonitrile; at 20℃; for 18h;Inert atmosphere;	Ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate (EV-AT8648-001)? Step 1 To a stirred solution of ethyl 4-methyl-1H-imidazole-5-carboxylate (CAS 51605-32- 4, 500 mg, 3.24 mmol) in acetonitrile (10 ml) and chloroform (10 ml) was added N- bromosuccinimide (577 mg, 3.24 mmol) and the reaction stirred under a nitrogen atmosphere at room temperature for 18h. The reaction mixture was concentrated and the residue was purified by flash column chromatography (10-100percent ethyl acetate/heptane) to afford 560 mg (73percent) of ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate (EV-AT8648-001) as an off-white solid. LCMS (method D): retention time 0.87 min, M/z = 233/235 (M + 1).
63%	With N-Bromosuccinimide; In acetonitrile; at 0 - 20℃; for 16h;	To a solution of ethyl 4-methyl-5-imidazole carboxylate (10 g, 64.86 mmol) in acetonitrile (150 ml) was added W-bromosuccinimide (12.7 g, 71.35 mmol) at 00C and the temperature was slowly elevated to the room temperature before stirring the solution for 16 hrs . After the completion of the reaction, the reaction mixture was added with water, extracted twice with ethyl acetate and washed with brine. The extract was dried over magnesium sulfate (MgSO4) and filtered, followed by the vacuum concentration of the filtrate. The purification of the concentrate through silica gel column chromatography (hexene:ethylacetate=2 : 1) afforded the title compound as a white solid (9.5 g, 63percent).1H-NMROOO MHz, CDCl3) sigma 1.34 (t, 3H), 2.53 (s, 3H), 4.34 (q, 2H); MS 234 (M+) .
62%	With N-Bromosuccinimide; In chloroform; acetonitrile; for 20h;	A. To a stirred suspension of ethyl 4-methyl-1H-imidazole-5-carboxylate (2.00 g, 13.0 mmol) in acetonitrile (25 mL) and chloroform (25 mL) was added N-bromosuccinimide (2.31 g, 13.0 mmol). The reaction mixture was stirred under nitrogen atmosphere for 20 h, then concentrated in vacuo. The residue was dissolved in ethyl acetate (100 mL) and washed with saturated aqueous sodium bicarbonate (50 mL). The organic layer was dried over sodium sulfate, filtered and concentrated in vacuo. The residue was purified by column chromatography eluding with 50percent ethyl acetate in hexanes to afford ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate as a light yellow solid (1.88 g, 62percent): 1H NMR (300 MHz, CDCl3) delta 4.35 (q, J=7.1 Hz, 2H), 2.51 (s, 3H), 1.37 (t, J=7.1 Hz, 3H); MS (ES+) m/z 233.1 (M+1), 235.1 (M+1).

3.6 g	With N-Bromosuccinimide; In acetonitrile; at 20℃; for 3h;	(1) Ethyl 4-methyl-1H-imidazole-5-carboxylate (7.5 g, 48.7mmol) was dissolved in acetonitrile (120 mE), N-bromosuccinimide (10.4 g, 58.4 mmol) was added thereto, and then themixture was stirred at room temperature for 3 hours. Afier thereaction, saturated aqueous sodium hydrogen carbonate wasadded and the mixture was extracted twice with ethyl acetate.Afier washing with saturated aqueous sodium chloride, theorganic layer was dried over anhydrous sodium sulfate. Afterconcentrating the organic layer, the residue was purified bycolunm chromatography to obtain ethyl 2-bromo-4-methyl-1 H-imidazole-5-carboxylate (3.6 g):(3H, s), 1.37 (3H, t, J=7.i Hz);j0127] iH.NMR (CDC13) oe: 4.35 (2H, q, J=7.i Hz), 2.51j0128] ESI-MS mlz=233 (M+H).
3.6 g	With N-Bromosuccinimide; In acetonitrile; at 20℃; for 3h;	(1) Ethyl 5-methyl-1H-imidazole-4-carboxylate (Sigma-Aldrich Co., Ltd.) (7.5g, 48.7mmol) in acetonitrile (120mLWas dissolved in), there N-bromosuccinimide (10.4g, 58.4mmol) added The mixture was stirred at room temperature for 3 hours on. After the reaction, a saturated sodium hydrogen carbonate aqueous solution was added, with ethyl acetateIt was extracted twice. The organic layer was washed with saturated brine, and dried with anhydrous sodium sulfate. concentratedAfter it was purified by column chromatography, ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate
3.6 g	With N-Bromosuccinimide; In acetonitrile; at 20℃; for 3h;	(1) Ethyl 4-methyl-1H-imidazole-5-carboxylate (7.5 g, 48.7 mmol) was dissolved in acetonitrile (120 mL), N-bromosuccinimide (10.4 g, 58.4 mmol) was added thereto, and the mixture was stirred at room temperature for 3 hours. After the reaction, saturated aqueous sodium hydrogen carbonate was added and the mixture was extracted twice with ethyl acetate. After washing the organic layer with saturated aqueous sodium chloride, it was dried over anhydrous sodium sulfate. After concentrating the organic layer, the residue was purified by column chromatography to obtain ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate (3.6 g): 1H-NMR (CDCl3) delta: 4.35 (2H, q, J=7.1 Hz), 2.51 (3H, s), 1.37 (3H, t, J=7.1 Hz).

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2010,vol. 20,p. 3669 - 3674
[2]Patent: WO2017/147102,2017,A1 .Location in patent: Paragraph 00167-00168
[3]Patent: WO2008/111794,2008,A1 .Location in patent: Page/Page column 27
[4]Patent: US2009/156615,2009,A1 .Location in patent: Page/Page column 19
[5]Patent: US2015/284358,2015,A1 .Location in patent: Paragraph 0126; 0127; 0128
[6]Patent: JP2015/214527,2015,A .Location in patent: Paragraph 0140; 0141; 0142
[7]Patent: US2017/144987,2017,A1 .Location in patent: Paragraph 0060-0061

8
[ 95470-42-1 ]
[ 74-88-4 ]
[ 103968-59-8 ]
[ 113444-43-2 ]

Yield	Reaction Conditions	Operation in experiment
32%; 64%	With potassium carbonate; In N,N-dimethyl-formamide; for 1.5h;	B. To a stirred suspension of <strong>[95470-42-1]ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate</strong> (0.90 g, 3.86 mmol) and potassium carbonate (1.07 g, 7.74 mmol) in N,N-dimethylformamide (15 mL) under nitrogen atmosphere was added iodomethane (0.73 mL, 11.6 mmol). The reaction mixture was stirred for 1.5 h, and diluted with ethyl acetate (75 mL). The organic layer was washed with water (25 mL) and brine (25 mL), dried over sodium sulfate, filtered and concentrated in vacuo. The residue was purified by column chromatography eluting with 10-60percent ethyl acetate in hexanes to afford the title compounds. First fraction: ethyl 2-bromo-1,4-dimethyl-1H-imidazole-5-carboxylate (0.61 g, 64percent): 1H NMR (300 MHz, CDCl3) delta 4.33 (q, J=7.1 Hz, 2H), 3.86 (s, 3H), 2.46 (s, 3H), 1.38 (t, J=7.1 Hz, 3H); MS (ES+) m/z 247.1 (M+1). Second fraction: ethyl 2-bromo-1,5-dimethyl-1H-imidazole-4-carboxylate (0.30 g, 32percent); 1H NMR (300 MHz, CDCl3) delta 4.35 (q, J=7.1 Hz, 2H), 3.54 (s, 3H), 2.56 (s, 3H), 1.38 (t, J=7.1 Hz, 3H); MS (ES+) m/z 247.1 (M+1).

Reference： [1]Patent: US2009/156615,2009,A1 .Location in patent: Page/Page column 19

9
[ 95470-42-1 ]
[ 1105690-64-9 ]

Yield	Reaction Conditions	Operation in experiment
26%		Example 12.2 Synthesis of Ethyl 2-(4-(benzyloxy)-2-oxopyridin-1(2H)-yl)-4-methyl-1H-imidazole-5-carboxylate Following the procedure as described in Example 12, making variations only as required to use 4-(benzyloxy)pyridin-2(1H)-one in place of 4-phenylpyridin-2-ol to react with <strong>[95470-42-1]ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate</strong> in place of ethyl 2-bromo-4-methylthiazole-5-carboxylate at 130° C. for 54 hours, the title compound was obtained as a colorless solid in 26percent yield: mp 135-136° C.; 1H NMR (300 MHz, CDCl3) delta 12.01 (s, 1H), 8.60-8.50 (m, 1H), 7.44-7.36 (m, 5H), 6.21 (dd, J=8.0, 2.6 Hz, 1H), 6.04 (d, J=2.6 Hz, 1H), 5.06 (s, 2H), 4.44-4.29 (m, 2H), 2.59-2.51 (m, 3H), 1.44-1.34 (m, 3H); MS (ES+) m/z 354.2 (M+1).

Reference： [1]Patent: US2009/156615,2009,A1 .Location in patent: Page/Page column 43

10
[ 444325-65-9 ]
[ 95470-42-1 ]
[ 1224479-50-8 ]
[ 444325-66-0 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2010,vol. 20,p. 1905 - 1909

11
[ 88-05-1 ]
[ 95470-42-1 ]
[ 1224479-82-6 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2010,vol. 20,p. 1905 - 1909

12
[ 99468-74-3 ]
[ 95470-42-1 ]
[ 444326-23-2 ]
[ 1238538-84-5 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2010,vol. 20,p. 3669 - 3674

13
[ 95470-42-1 ]
ethyl 2-(5-fluoropyridin-3-yl)-4-methyl-1-(naphthalen-1-ylmethyl)-1H-imidazole-5-carboxylate [ No CAS ]

Reference： [1]Patent: US2015/284358,2015,A1

14
[ 95470-42-1 ]
2-(5-fluoropyridin-3-yl)-4-methyl-1-(naphthalen-1-ylmethyl)-1H-imidazole-5-carboxylic acid [ No CAS ]

Reference： [1]Patent: US2015/284358,2015,A1

15
[ 95470-42-1 ]
ethyl 4-methyl-1-(naphthalen-1-ylmethyl)-2-(pyridin-3-yl)-1H-imidazole-5-carboxylate [ No CAS ]

Reference： [1]Patent: US2015/284358,2015,A1

16
[ 86-52-2 ]
[ 95470-42-1 ]
ethyl 2-bromo-4-methyl-1-(naphthalen-1-ylmethyl)-1H-imidazole-5-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
3.25 g	With potassium carbonate; In N,N-dimethyl-formamide; at 80℃; for 2h;	(2) Ethyl 2-bromo-4-methyl-i H-imidazole-5-carboxylate (5lene (4.56 g, 25.8 nmol) were added thereto, and the mixmre g, 21.45 mmol) was dissolved in DMF (40 mE), potassium carbonate (5.93 g, 42.9 mmol) and 1 -(chloromethyl)naphthaNwas stirred at 80° C. for 2 hours. After the reaction, water wasThe organic layer was washed with samrated aqueous sodiumadded and the mixture was extracted twice with ethyl acetate.chloride and dried over anhydrous sodium sulfate. Afier con-centrating the organic layer, the residue was purified by column chromatography to obtain ethyl 2-bromo-4-methyl-1 - (naphthalen-1 -ylmethyl)-i H-imidazole-5-carboxylate (3.2510129] ?H-NMR (CDC13) oe: 8.01 (1H, d, J=8.3 Hz), 7.91(1H, d, J=7.8 Hz), 7.77 (1H, d, J 8.3 Hz), 7.63-7.53 (2H, m),7.33 (1H, t, J=7.6 Hz), 6.43 (1H, dd, J=7.3, 1.0Hz), 6.07 (2H,s), 4.13 (2H, q, J=7.i Hz), 2.58 (3H, s), 1.11 (3H, t, J=7.i Hz);10130] ESI-MS mlz=373 (M+H).
3.25 g	With potassium carbonate; In N,N-dimethyl-formamide; at 80℃; for 2h;	(2) ethyl 2-bromo-4-methyl -1H- imidazole-5-carboxylate(5g, 21.45mmol) was dissolved in DMF (40 mL), there potassium carbonate (5. 93g, 42.9mmol) and 1- (chloromethyl) naphthalene (Tokyo Kasei Kogyo stock AssociationInc., Ltd.) was stirred for 2 hours at 80 ° C. was added. After the reaction, water was added and extracted twice with ethyl acetate. The organic layer was washed with saturated brine, and dried with anhydrous sodium sulfate. After concentration, Karamuku Purification by chromatography, ethyl 2-bromo-4-methyl-1-(naphthalen-1-ylmethyl)-1H-imidazole-5-carboxylate(3.25g).

Reference： [1]Patent: US2015/284358,2015,A1 .Location in patent: Paragraph 0126; 0128; 0129; 130
[2]Patent: JP2015/214527,2015,A .Location in patent: Paragraph 0140; 0141; 0143

17
[ 85482-13-9 ]
[ 95470-42-1 ]
ethyl 2-bromo-1-(2,5-dichlorobenzyl)-4-methyl-1H-imidazole-5-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
1.72 g	With potassium carbonate; In N,N-dimethyl-formamide; at 90℃; for 3h;	(1) Ethyl 2-bromo-4-methyl-1 H-imidazole-5-carboxylate (2.75 g, 11.81 mmol) described in Example 1(1) was dissolved in DMF (20 mE), potassium carbonate (3.26 g, 23.62 mmol) and <strong>[85482-13-9]2,5-dichlorobenzyl bromide</strong> (3.4 g, 14.17 mmol) were added thereto, and the mixture was stirred at 90° C. for 3 hours. Afier the reaction, water (50 mE) was added and the mixture was extracted twice with ethyl acetate (50 mE). The organic layer was washed with saturated aqueous sodium chloride and subsequently dried over sodium sulfate. After concentrating the organic layer, the residue was purified by column chromatography to obtain ethyl 2-bromo-1 -(2,5- dichlorobenzyl)-4 -methyl-i H-imidazole-5-carboxylate(1.72 g):10160] ?H-NMR (CDC13) oe: 7.34 (1H, d, J=8.8 Hz), 7.20(1H, dd, J=8.8, 2.4 Hz), 6.40 (1H, d, J=2.4 Hz), 5.60 (2H, s),4.25 (2H, q, J=7.2 Hz), 2.56 (3H, s), 1.27 (3H, t, J=7.1 Hz);10161] ESI-MS mlz=391 (M+H).
1.72 g	With potassium carbonate; In N,N-dimethyl-formamide; at 90℃; for 3h;	Ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate (2.75 g, 11.8 mmol) was dissolved in DMF (20 mL), potassiumcarbonate (3.26 g, 23.6 mmol) and 2,5-dichloronbenzyl bromide (3.4 g, 14.2 mmol) were added thereto, and thereaction mixture was stirred at 90°C for 3 hours. Water (50 mL) was added after the reaction was complete, andthe reaction mixture was extracted twice with ethyl acetate (50 mL). After washing with a saturated aqueous sodiumchloride solution, the organic phase was dried over sodium sulfate. After concentration under reduced pressure,the residue was purified by silica gel column chromatography to obtain ethyl 2-bromo-1-(2,5-dichlorobenzyl)-4-methyl-1H-imidazole-5-carboxylate (1.72 g) : 1H-NMR (CDCl3) delta: 7.34 (1H, d, J=8.8 Hz), 7.20 (1H, dd, J=8.8, 2.4Hz), 6.40 (1H, d, J=2.4 Hz), 5.60 (2H, s), 4.25 (2H, q, J=7.2 Hz), 2.56 (3H, s), 1.27 (3H, t, J=7.1 Hz); ESI-MS m/z=391(M+H)+.
1.72 g	With potassium carbonate; In N,N-dimethyl-formamide; at 90℃; for 3h;	(2) Ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate (2.75 g, 11.81 mmol) described in (1) was dissolved in DMF (20 mL), potassium carbonate (3.26 g, 23.62 mmol) and <strong>[85482-13-9]2,5-dichlorobenzyl bromide</strong> (3.4 g, 14.17 mmol) were added thereto, and the mixture was stirred at 90° C. for 3 hours. After the reaction, water was added and the mixture was extracted twice with ethyl acetate. The organic layer was washed with saturated aqueous sodium chloride and subsequently dried over sodium sulfate. After concentrating the organic layer, the residue was purified by column chromatography to obtain ethyl 2-bromo-1-(2,5-dichlorobenzyl)-4-methyl-1H-imidazole-5-carboxylate (1.72 g): 1H-NMR (CDCl3) delta: 7.34 (1H, d, J=8.8 Hz), 7.20 (1H, dd, J=8.8, 2.4 Hz), 6.40 (1H, d, J=2.4 Hz), 5.60 (2H, s), 4.25 (2H, q, J=7.2 Hz), 2.56 (3H, s), 1.27 (3H, t, J=7.1 Hz).

Reference： [1]Patent: US2015/284358,2015,A1 .Location in patent: Paragraph 0159; 0160; 0161
[2]Patent: EP3144306,2017,A1 .Location in patent: Paragraph 0083; 0084
[3]Patent: US2017/144987,2017,A1 .Location in patent: Paragraph 0061-0062

18
[ 95470-42-1 ]
ethyl 1-(2,5-dichlorobenzyl)-4-methyl-2-(pyridin-3-yl)-1H-imidazole-5-carboxylate [ No CAS ]

Reference： [1]Patent: US2015/284358,2015,A1

19
[ 95470-42-1 ]
1-(2,5-dichlorobenzyl)-2-(pyridin-3-yl)-4-methyl-1H-imidazole-5-carboxylic acid [ No CAS ]

Reference： [1]Patent: US2015/284358,2015,A1

20
[ 95470-42-1 ]
1-(2,5-dichlorobenzyl)-4-methyl-N-(methylsulfonyl)-2-(pyridin-3-yl)-1H-imidazole-5-carboxamide [ No CAS ]

Reference： [1]Patent: US2015/284358,2015,A1

21
[ 95470-42-1 ]
1-(2,5-dichlorobenzyl)-4-methyl-2-((2-methylpyridin-3-yl)oxy)-1H-imidazole-5-carboxylic acid [ No CAS ]

Reference： [1]Patent: US2015/284358,2015,A1

22
[ 95470-42-1 ]
4-methyl-1-(naphthalen-1-ylmethyl)-2-(pyridin-3-yl)-1H-imidazole-5-carboxylic acid [ No CAS ]

Reference： [1]Patent: US2015/284358,2015,A1

23
[ 95470-42-1 ]
ethyl 1-((4-chlorobenzo[b]thiophen-3-yl)methyl)-4-methyl-2-(pyridin-3-yl)-1H-imidazole-5-carboxylate [ No CAS ]

Reference： [1]Patent: US2015/284358,2015,A1

24
[ 95470-42-1 ]
1-((4-chlorobenzo[b]thiophen-3-yl)methyl)-4-methyl-2-(pyridin-3-yl)-1H-imidazole-5-carboxylic acid [ No CAS ]

Reference： [1]Patent: US2015/284358,2015,A1

25
(4-chlorobenzo[b]thiophen-3-yl)methanol [ No CAS ]
[ 95470-42-1 ]
ethyl 2-bromo-1((4-chlorobenzo[b]thiophen-3-yl)methyl)-4-methyl-1H-imidazole-5-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
1.73 g	With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; toluene; at 0 - 30℃; for 10h;	(1) Ethyl 2-bromo-4-methyl-i H-imidazole-5-carboxylate (1.52 g, 6.0 mmol), (4-chlorobenzo[b]thiophen-3-yl)metha- nol (1.79 g, 9.0 mmol) obtained according to a method described in a literature (for example, WO 2002/066457), and triphenylphosphine (2.36 g, 9.0 mmol) were dissolved in THF (15 mE), a 1.9 M solution of DIAD in toluene (4.73 mE, 9.0 mmol) was added dropwise thereto under cooling at 0°C., and the mixture was stirred at 30°C. for 10 hours. The solvent was distilled away and the residue was purified by colunm chromatography to obtain ethyl 2-bromo-i ((4-chlorobenzo [b]thiophen-3-yl)methyl)-4-methyl- 1 H-imidazole-5-car- boxylate (1.73 g):10138] ?H-NMR (CDC13) oe: 7.72 (1H, d, J=8.3 Hz), 7.41-7.24 (3H, m), 6.15 (2H, s), 4.21 (2H, q, J=7.1 Hz), 2.57 (3H, s), 1.20 (3H, t, J=7.1 Hz);10139] ESI-MS mlz=413 (M+H).

Reference： [1]Patent: US2015/284358,2015,A1 .Location in patent: Paragraph 0137; 0138; 0139

26
[ 95470-42-1 ]
4-methyl-1-(napthalen-1-ylmethyl)-2-(propylthio)-1H-imidazole-5-carboxylic acid [ No CAS ]

Reference： [1]Patent: JP2015/214527,2015,A

27
[ 95470-42-1 ]
4-methyl-1-(napthalen-1-ylmethyl)-2-phenyl-1H-imidazolecarboxylic-5-carboxylic acid [ No CAS ]

Reference： [1]Patent: JP2015/214527,2015,A

28
[ 95470-42-1 ]
C₂₃H₂₀N₂O₃ [ No CAS ]

Reference： [1]Patent: JP2015/214527,2015,A

29
[ 95470-42-1 ]
ethyl 4-methyl-1-(naphthalen-1-ylmethyl)-2-sulfanyl-1H-imidazole-5-carboxylate [ No CAS ]

Reference： [1]Patent: JP2015/214527,2015,A

30
[ 95470-42-1 ]
2-((3-((2-ethylhexyl)carboxymethyl)-3-oxo-propyl)thio)-4-methyl-1-(naphthalene-1-ylmethyl)-1H-imidazole-5-carboxylate [ No CAS ]

Reference： [1]Patent: JP2015/214527,2015,A

31
[ 95470-42-1 ]
C₂₁H₂₄N₂O₂S [ No CAS ]

Reference： [1]Patent: JP2015/214527,2015,A

32
[ 95470-42-1 ]
ethyl 2-phenyl-4-methyl-1-(naphth-1-ylmethyl)-1H-imidazole-5-carboxylate [ No CAS ]

Reference： [1]Patent: JP2015/214527,2015,A

33
[ 95470-42-1 ]
ethyl 4-methyl-2-(2-methylphenoxy)-1-(naphthalen-1-ylmethyl)-1H-imidazole-5-carboxylate [ No CAS ]

Reference： [1]Patent: JP2015/214527,2015,A

34
[ 95470-42-1 ]
1-(2,5-dichlorobenzyl)-4-methyl-2-(pyrazin-2-yl)-1H-imidazole-5-carboxylic acid [ No CAS ]

Reference： [1]Patent: EP3144306,2017,A1

35
[ 95470-42-1 ]
ethyl 1-(2,5-dichlorobenzyl)-4-methyl-2-(pyrazin-2-yl)-1H-imidazole-5-carboxylate [ No CAS ]

Reference： [1]Patent: EP3144306,2017,A1

36
[ 51605-32-4 ]
[ 95470-42-1 ]

Yield	Reaction Conditions	Operation in experiment
3.6 g	With N-Bromosuccinimide; In acetonitrile; at 20℃; for 3h;	Ethyl 5-methyl-1H-imidazole-4-carboxylate (produced by Sigma-Aldrich Co.) (7.5 g, 48.7 mmol) was dissolvedin acetonitrile (120 mL), N-bromosuccinimide (10.4 g, 58.4 mmol) was added thereto, and the reaction mixture wasstirred at room temperature for 3 hours. After the reaction was complete, a saturated aqueous sodium bicarbonatesolution was added, and the reaction mixture was extracted twice with ethyl acetate. The organic layer was washed witha saturated aqueous sodium chloride solution and, thereafter, dried over anhydrous sodium sulfate. After concentration,the residue was purified by silica gel column chromatography to obtain ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate(3.6 g): 1H-NMR (CDCl3) delta: 4.35 (2H, q, J=7.1 Hz), 2.51 (3H, s), 1.37 (3H, t, J=7.1 Hz); ESI-MS m/z=233 (M+H)+.

Reference： [1]Patent: EP3144306,2017,A1 .Location in patent: Paragraph 0083; 0084

37
[ 95470-42-1 ]
2-(5-chloropyridin-3-yl)-1-(2,5-dichlorobenzyl)-4-methyl-1H-imidazole-5-carboxylic acid [ No CAS ]

Reference： [1]Patent: US2017/144987,2017,A1

38
[ 95470-42-1 ]
ethyl 2-(5-chloropyridin-3-yl)-1-(2,5-dichlorobenzyl)-4-methyl-1H-imidazole-5-carboxylate [ No CAS ]

Reference： [1]Patent: US2017/144987,2017,A1

39
[ 13922-41-3 ]
[ 95470-42-1 ]
ethyl 4-methyl-2-(naphthalen-1-yl)-1H-imidazole-5-carboxylate [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2017,vol. 60,p. 6166 - 6190

40
[ 95470-42-1 ]
ethyl 1,4-dimethyl-2-(naphthalen-1-yl)-1Himidazole-5-carboxylate [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2017,vol. 60,p. 6166 - 6190

41
[ 95470-42-1 ]
1,4-dimethyl-2-(naphthalen-1-yl)-1H-imidazole-5-carboxylic acid [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2017,vol. 60,p. 6166 - 6190

42
[ 95470-42-1 ]
(1,4-dimethyl-2-(naphthalen-1-yl)-1H-imidazol-5-yl)(4-(hydroxymethyl)piperidin-1-yl)methanone [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2017,vol. 60,p. 6166 - 6190

43
[ 95470-42-1 ]
C₁₇H₂₀N₂O₂ [ No CAS ]

Reference： [1]Patent: WO2017/147102,2017,A1

44
[ 7051-34-5 ]
[ 95470-42-1 ]
ethyl 2-bromo-1-(cyclopropylmethyl)-4-methyl-1H-imidazole-5-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
80%	With potassium carbonate; In N,N-dimethyl-formamide; at 20℃; for 16h;	Ethyl 2-bromo-1-(cyclopropylmethyl)-4-methyl-1H-imidazole-5-carboxylate (EV-AT8650-001)? Step 2 To <strong>[95470-42-1]ethyl 2-bromo-4-methyl-1H-imidazole-5-carboxylate</strong> (EV-AT8648-001, 550 mg, 2.36 mmol) in DMF (10 ml), was added potassium carbonate (652 mg, 4.72 mmol) followed by (bromomethyl)cyclopropane (0.25 ml, 2.60 mmol) and the reaction mixture stirred at room temperature for 16h. Saturated aqueous ammonium chloride (150 ml) was added to the reaction mixture and the aqueous layer was extracted with ethyl acetate (2x150 ml). The combined organics were then dried over sodium sulfate and concentrated in vacuo. The residue was purified by flash column chromatography (0-100percent ethyl acetate/heptane) to afford 543 mg (80percent) of ethyl 2-bromo-1-(cyclopropylmethyl)-4-methyl-1H-imidazole-5-carboxylate (EV- AT8650-001) as a colourless oil. LCMS (method D): retention time 1.23 min, M/z = 287/289 (M + 1).

Reference： [1]Patent: WO2017/147102,2017,A1 .Location in patent: Paragraph 00169-00170

45
[ 100-44-7 ]
[ 95470-42-1 ]
N-benzyl-2-(3-methylphenyl)-4-methyl-1H-imidazole-5-carboxylic acid ethyl ester [ No CAS ]

Reference： [1]Patent: WO2008/111794,2008,A1

46
[ 95470-42-1 ]
N-methyl-2-phenyl-4-methyl-1H-imidazole-5-carboxylic acid ethyl ester [ No CAS ]

Reference： [1]Patent: WO2008/111794,2008,A1

47
[ 95470-42-1 ]
N-(1-ethoxyethyl)-2-phenyl-4-methyl-1H-imidazole-5-carboxylic acid ethyl ester [ No CAS ]

Reference： [1]Patent: WO2008/111794,2008,A1

48
[ 95470-42-1 ]
[ 1144520-06-8 ]

Reference： [1]Patent: WO2008/111794,2008,A1

49
[ 95470-42-1 ]
N-(1-ethoxyethyl)-2-(2-fluorophenyl)-4-methyl-1H-imidazole-5-carboxylic acid ethyl ester [ No CAS ]

Reference： [1]Patent: WO2008/111794,2008,A1

50
[ 95470-42-1 ]
C₁₆H₂₁N₅O₂ [ No CAS ]

Reference： [1]Patent: WO2008/111794,2008,A1

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Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
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P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
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P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
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P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
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P307	IF exposed:
P308	IF exposed or concerned:
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P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
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.
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P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
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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

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
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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. 95470-42-1 ] {[proInfo.proName]}

Quality Control of [ 95470-42-1 ]

Related Doc. of [ 95470-42-1 ]

Product Details of [ 95470-42-1 ]

Calculated chemistry of [ 95470-42-1 ]

Physicochemical Properties

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Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

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Application In Synthesis of [ 95470-42-1 ]

[ 95470-42-1 ] Synthesis Path-Upstream 1~2

[ 95470-42-1 ] Synthesis Path-Downstream 1~50

Related Functional Groups of [ 95470-42-1 ]

Bromides

Esters

Related Parent Nucleus of [ 95470-42-1 ]

Imidazoles

Precautionary Statements-General

Prevention

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Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

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[ 95470-42-1 ]

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[ 95470-42-1 ]