[ CAS No. 184150-96-7 ] {[proInfo.proName]}

Name: 184150-96-7|Methyl 2-methyl-1H-indole-6-carboxylate|95%
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Quality Control of [ 184150-96-7 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 184150-96-7 ]

CAS No. :	184150-96-7	MDL No. :	MFCD18381247
Formula :	C₁₁H₁₁NO₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	BGEBSRRTTLVBFL-UHFFFAOYSA-N
M.W :	189.21	Pubchem ID :	11435419
Synonyms :

Calculated chemistry of [ 184150-96-7 ]

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.18
Num. rotatable bonds :	2
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	54.54
TPSA :	42.09 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) :	-5.82 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.08
Log Po/w (XLOGP3) :	2.3
Log Po/w (WLOGP) :	2.26
Log Po/w (MLOGP) :	1.67
Log Po/w (SILICOS-IT) :	2.83
Consensus Log Po/w :	2.23

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.81
Solubility :	0.296 mg/ml ; 0.00156 mol/l
Class :	Soluble
Log S (Ali) :	-2.82
Solubility :	0.285 mg/ml ; 0.00151 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.75
Solubility :	0.0337 mg/ml ; 0.000178 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.52

Safety of [ 184150-96-7 ]

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 [ 184150-96-7 ]

* 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 [ 184150-96-7 ]
Downstream synthetic route of [ 184150-96-7 ]

[ 184150-96-7 ] Synthesis Path-Upstream 1~6

1
[ 4518-10-9 ]
[ 67-64-1 ]
[ 184150-96-7 ]

Yield	Reaction Conditions	Operation in experiment
83%	With palladium diacetate; copper(II) acetate monohydrate In dimethyl sulfoxide at 80℃; for 48 h; Sealed tube; Inert atmosphere	prepared a degass ed mixture of compound LVI (10.0 g, 0.061 mol) and copper(II) acetate 10 monohydrate (36.2 g, 0.182 mol) in dimethyls ulfoxide (50 mL). To the flask was added acetone (100 mL), followed by palladium(II) acetate (0.270 g, 0.001 mol), and the resulting reaction mixture was heated at 80 °C for 48 h. After cooling to room temperature, the reaction mixture was filtered through a pad of celite and the filtrate w as diluted with water (80 mL). The aqueous mixture w as extracted with ethyl acetate (3 x 100 mL) and the 148 of 363 {//-- DRAFT --//4069/3020WO/00228726/v2} 4069.3020 WO combined organic extracts were dried over anhydrous sodium sulfate. The organic layer was concentrated under reduced pressure to obtain the crude product mixture, which was purified by silica gel chromatography using a gradient of 5-7percent ethyl acetate in hexanes as the eluant to affod LVII (4.8 g, 83percent) as a pale yellow solid.¹H NMR (400 MHz, CDCl₃) δ 8.26 (brs, 5 1H), 8.04 (s, 1H), 7.77 (dd, J= 8.3, 3.4 Hz, 1H), 7.50 (d, J= 8.3 Hz, 1H), 6.26 (s, 1H), 3.92 (s, 3H), 2.47 (s, 3H); MS (ESI, positive mode) m/z 190 (MH⁺).

Reference： [1] Patent: WO2015/73528, 2015, A1, . Location in patent: Page/Page column 148-149

2
[ 206066-05-9 ]
[ 184150-96-7 ]

Yield	Reaction Conditions	Operation in experiment
303 mg	at 100℃; for 8 h;	To a solution of the compound [69-2] obtained in the process (2) (589 mg) in acetic acid (5 mL) were added iron powder (691 mg), and then the reaction mixture was stirred at 100°C for 8 hours. After cooling to room temperature, the insoluble materials were filtered, and the filtrate was concentrated under reduced pressure. The residue was added water, and extracted with ethyl acetate. The obtained organic layer was dried over anhydrous sodium sulfate, filtered, and the filtrate was concentrated under reduced pressure. The obtained residue was purified by silica gel column chromatography to give the titled compound (303 mg) as a brown solid. ¹H-NMR (400 MHz, CDCl₃) δ: 8.21-8.20 (1H, br), 8.04 (1H, s), 7.77 (1H, dd, J = 8.5, 1.5 Hz), 7.51 (1H, d, J = 8.3 Hz), 6.28-6.27 (1H, m), 3.92 (3H, s), 2.49 (3H, s).

Reference： [1] Patent: US6410584, 2002, B1,
[2] Patent: US6410584, 2002, B1,
[3] Patent: EP2669270, 2013, A1, . Location in patent: Paragraph 0527-0528

3
[ 13291-18-4 ]
[ 124-41-4 ]
[ 34058-51-0 ]
[ 184150-96-7 ]

Reference： [1] Beilstein Journal of Organic Chemistry, 2012, vol. 8, p. 1191 - 1199

4
[ 473575-38-1 ]
[ 34058-51-0 ]
[ 184150-96-7 ]

Reference： [1] Heterocycles, 2002, vol. 57, # 6, p. 1101 - 1107

5
[ 7356-11-8 ]
[ 184150-96-7 ]

Reference： [1] Patent: EP2669270, 2013, A1,

6
[ 96-98-0 ]
[ 184150-96-7 ]

Reference： [1] Patent: EP2669270, 2013, A1,

[ 184150-96-7 ] Synthesis Path-Downstream 1~22

1
[ 473575-38-1 ]
[ 34058-51-0 ]
[ 184150-96-7 ]

Reference： [1]Heterocycles,2002,vol. 57,p. 1101 - 1107

2
pentacarbonyl(1-[N-(5-methoxycarbonyl-2-ethenylphenyl)amino]ethylidene)chromium [ No CAS ]
[ 105908-31-4 ]
[ 184150-96-7 ]
methyl 3-amino-4-ethenylbenzoate [ No CAS ]

Reference： [1]Tetrahedron,2003,vol. 59,p. 8775 - 8791

3
pentacarbonyl(1-[N-(5-methoxycarbonyl-2-ethenylphenyl)amino]ethylidene)chromium [ No CAS ]
[ 105908-31-4 ]
[ 184150-96-7 ]
methyl 3-amino-4-ethenylbenzoate [ No CAS ]
methyl 2-methyl-1,2,3,4-tetrahydroquinoline-7-carboxylate [ No CAS ]

Reference： [1]Tetrahedron,2003,vol. 59,p. 8775 - 8791

Yield	Reaction Conditions	Operation in experiment
		(3) Methyl 2-methylindole-6-carboxylate (562 mg) was prepared from methyl 1-benzyloxycarbonyl-2-methylindole-6-carboxylate (1.18 g) in a similar manner to that of Preparation 1 (4).

5
[ 94-99-5 ]
[ 184150-96-7 ]
[ 206066-43-5 ]

Yield	Reaction Conditions	Operation in experiment
	In 1,4-dioxane;	EXAMPLE 29 Production of 3-(2,4-dichlorobenzyl)-6-(methoxycarbonyl)-2-methylindole (58) 6-(Methoxycarbonyl)-2-methylindole (3.03 g), 2,4-dichlorobenzyl chloride (4.69 g) and silver(I) oxide (5.56 g) are suspended in 1,4-dioxane (50 ml), and stirred under heat at 90 C. for 19.5 hours. The solid is separated through filtration, and the filtrate is concentrated. The resulting residue is purified through silica gel column chromatography to obtain 3-(2,4-dichlorobenzyl)-6-(methoxycarbonyl)-2-methylindole (58) (1.15 g). 1H-NMR (CDCl3, delta ppm): 2.40 (3H, s), 3.92 (3H, s), 4.10 (2H, s), 6.84 (1H, d, J=8.3 Hz), 7.04 (1H, dd, J=2.1 and 8.4Hz), 7.31 (1H, d, J=8.3 Hz), 7.40 (1H, d, J=2.1 Hz), 7.73 (1H, dd, J=1.4 and 8.3 Hz), 8.06 (1H, d, J=1.1 Hz), 8.14 (1H, brs).

Reference： [1]Patent: US6410584,2002,B1

6
[ 94-99-5 ]
[ 184150-96-7 ]
[ 206066-26-4 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium iodide; potassium carbonate;	EXAMPLE 7 Production of 1-(2,4-dichlorobenzyl)-<strong>[184150-96-7]6-methoxycarbonyl-2-methylindole</strong> (36) According to the method of Example 1, obtained is 1-(2,4-dichlorobenzyl)-<strong>[184150-96-7]6-methoxycarbonyl-2-methylindole</strong> (36) (1.71 g) from <strong>[184150-96-7]6-methoxycarbonyl-2-methylindole</strong> (1.59 g), 2,4-dichlorobenzyl chloride (2.14 g), potassium carbonate (1.51 g) and sodium iodide (1.26 g). hu 1H-NMR (CDCl3, delta): 2.31 (3H, s), 3.94 (3H, s), 5.29 (2H, s), 6.11 (1H, s), 7.26 (1H, dd, J=2.0 and 8.2 Hz), 7.32 (1H, d, J=8.1 Hz), 7.48 (2H, m), 7.76 (1H, d, J=8.3 Hz), 8.02 (1H, s).

Reference： [1]Patent: US6410584,2002,B1

7
[ 611-17-6 ]
[ 184150-96-7 ]
[ 206066-22-0 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; In N,N-dimethyl-formamide;	EXAMPLE 1 Production of 1-(2-chlorobenzyl)-<strong>[184150-96-7]6-methoxycarbonyl-2-methylindole</strong> (30) A mixture of <strong>[184150-96-7]6-methoxycarbonyl-2-methylindole</strong> (0.89 g), 2-chlorobenzyl bromide (1.45 g), potassium carbonate (0.780 g) and N,N-dimethylformamide (2 ml) is stirred at 80 C. for 18 hours. The solvent is evaporated away under reduced pressure, and the resulting residue is purified through silica gel column chromatography (eluent: hexane/chloroform=3/1) to obtain 1-(2-chlorobenzyl)-<strong>[184150-96-7]6-methoxycarbonyl-2-methylindole</strong> (30) (0.660 g). [Physical Properties of Compound (30)] 1H-NMR (CDCl3, delta): 2.35 (3H, s), 3.88 (3H, s), 5.41 (2H, s), 6.17 (1H, d, J=7.8 Hz), 6.42 (1H, s), 7.02 (1H, t, J=7.6 Hz), 7.18 (1H, t, J=7.1 Hz), 7.42 (1H, d, J=8.0 Hz), 7.58 (1H, d, J=8.3 Hz), 7.80 (1H, dd, J=1.2 and 8.3 Hz).

Reference： [1]Patent: US6410584,2002,B1

8
[ 79-30-1 ]
[ 184150-96-7 ]
[ 184150-72-9 ]

Yield	Reaction Conditions	Operation in experiment
		Methyl 3-isobutyryl-2-methylindole-6-carboxylate (142 mg) was prepared from <strong>[184150-96-7]methyl 2-methylindole-6-carboxylate</strong> (305 mg) and isobutyryl chloride (0.47 ml) in a similar manner to that of Preparation 1 (5). NMR (CDCl3, delta): 1.26 (6H, d, J=7 Hz), 2.81 (3H, s), 3.47 (1H, m), 3.93 (3H, s), 7.92 (1H, d, J=8 Hz), 8.09 (1H, s), 8.85 (1H, br s).
		Methyl 3-isobutyryl-2-methylindole-6-carboxylate (142 mg) was prepared from <strong>[184150-96-7]methyl 2-methylindole-6-carboxylate</strong> (305 mg) and isobutyryl chloride (0.47 ml) in a similar manner to that of Preparation 1 (5). NMR (CDCl3, delta) 1.26 (6H, d, J=7 Hz), 2.81 (3H, s), 3.47 (1H, m), 3.93 (3H, s), 7.92 (1H, d, J=8 Hz), 8.09 (1H, s), 8.85 (1H, br s)

Reference： [1]Patent: US6358992,2002,B1
[2]Patent: US6069156,2000,A

9
[ 206066-05-9 ]
[ 184150-96-7 ]

Yield	Reaction Conditions	Operation in experiment
	With iron; acetic acid;	Production Example 2 6-Methoxycarbonyl-2-Methylindole A mixed solution of methyl 4-(2-oxopropyl)-3-nitrobenzoate (3.86 g), reduced iron (9.0 g) and acetic acid (40 ml) is stirred at 90 C. for 24 hours. The solid is removed through filtration, and the filtrate is concentrated under reduced pressure. The resulting residue is purified through silica gel column chromatography (eluent: hexane/ethyl acetate=3/1) to obtain 6-methoxycarbonyl-2-methylindole (0.890 g). [Physical Properties of the Product] 1H-NMR (CDCl3, delta): 2.46 (3H, s), 3.90 (3H, s), 6.25 (1H, s), 7.48 (1H, d, J=8.3 Hz), 7.72 (1H, dd, J=1.4 Hz and 8.3 Hz), 7.97 (1H, s), 8.39 (1H, brs).
	With iron; acetic acid;	Production Example 9 6-methoxycarbonyl-2-methylindole A mixed solution of methyl 4-(2-oxopropyl)-3-nitrobenzoate (3.86 g), reduced iron (9.0 g) and acetic acid (40 ml) is stirred at 90 C. for 24 hours. The solid is taken out through filtration, and the filtrate is concentrated under reduced pressure. The resulting residue is purified through silica gel column chromatography (eluent: hexane/ethyl acetate=3/1) to obtain 6-methoxycarbonyl-2-methylindole (0.890 g). 1H-NMR (CDCl3, delta ppm): 2.46 (3H, s), 3.90 (3H, s), 6.25 (1H, s), 7.48 (1H, d, J=8.3 Hz), 7.72 (1H, dd, J=1.4 and 8.3 Hz), 7.97 (1H, s), 8.39 (1H, brs).
303 mg	With iron; acetic acid; at 100℃; for 8h;	To a solution of the compound [69-2] obtained in the process (2) (589 mg) in acetic acid (5 mL) were added iron powder (691 mg), and then the reaction mixture was stirred at 100C for 8 hours. After cooling to room temperature, the insoluble materials were filtered, and the filtrate was concentrated under reduced pressure. The residue was added water, and extracted with ethyl acetate. The obtained organic layer was dried over anhydrous sodium sulfate, filtered, and the filtrate was concentrated under reduced pressure. The obtained residue was purified by silica gel column chromatography to give the titled compound (303 mg) as a brown solid. 1H-NMR (400 MHz, CDCl3) delta: 8.21-8.20 (1H, br), 8.04 (1H, s), 7.77 (1H, dd, J = 8.5, 1.5 Hz), 7.51 (1H, d, J = 8.3 Hz), 6.28-6.27 (1H, m), 3.92 (3H, s), 2.49 (3H, s).

Reference： [1]Patent: US6410584,2002,B1
[2]Patent: US6410584,2002,B1
[3]Patent: EP2669270,2013,A1 .Location in patent: Paragraph 0527-0528

10
[ 114772-40-6 ]
[ 184150-96-7 ]
[ 1220018-32-5 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2010,vol. 20,p. 1399 - 1404

11
C₈H₆NO₄Pol [ No CAS ]
[ 13291-18-4 ]
[ 124-41-4 ]
[ 34058-51-0 ]
[ 184150-96-7 ]

Reference： [1]Beilstein Journal of Organic Chemistry,2012,vol. 8,p. 1191 - 1199

12
[ 7356-11-8 ]
[ 184150-96-7 ]

Reference： [1]Patent: EP2669270,2013,A1

13
[ 96-98-0 ]
[ 184150-96-7 ]

Reference： [1]Patent: EP2669270,2013,A1

14
[ 184150-96-7 ]
[1-(4-chlorophenyl)-2-methyl-1H-indol-6-yl]methanol [ No CAS ]

Reference： [1]Patent: WO2015/73528,2015,A1
[2]Patent: WO2020/6296,2020,A1

15
[ 184150-96-7 ]
2-[1-(4-chlorophenyl)-2-methyl-1H-indol-6-ylmethyl]isoindole-1,3-dione [ No CAS ]

Reference： [1]Patent: WO2015/73528,2015,A1

16
[ 184150-96-7 ]
2-[3-(2-chloroacetyl)-1-(4-chlorophenyl)-2-methyl-1H-indol-6-ylmethyl]isoindole-1,3-dione [ No CAS ]

Reference： [1]Patent: WO2015/73528,2015,A1

17
[ 184150-96-7 ]
2-[1-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)-1H-indol-6-ylmethyl]isoindole-1,3-dione [ No CAS ]

Reference： [1]Patent: WO2015/73528,2015,A1

18
[ 184150-96-7 ]
1-[6-aminomethyl-1-(4-chlorophenyl)-2-methyl-1H-indol-3-yl]-2-piperidin-1-ylethanone [ No CAS ]

Reference： [1]Patent: WO2015/73528,2015,A1

19
[ 637-87-6 ]
[ 184150-96-7 ]
methyl 1-(4-chlorophenyl)-2-methyl-1H-indole-6-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
86%	With potassium phosphate; copper(l) iodide; trans-1,2-Diaminocyclohexane; In 1,4-dioxane; at 110℃; for 48h;Inert atmosphere;	Synthesis of Methyl 1-(4-Chloro-phenyl)-2-methyl-1H-indole-6-carboxylate (LVIII): To a degassed mixture of compound LVII (3.5 g, 0.019 mol), 1-chloro-4-iodobenzene (4.41 g, 10 0.019 mol), potassium phosphate (6.67 g, 0.031 mol) in 1,4-dioxane (75 mL) were added copper(I) iodide (0.129 g, 0.926 mmol), followed by racemic trans-1,2-diaminocyclohexane (0.105 g, 0.926 mmol). The reaction mixture was heated at 110 C for 48 h and then allowed to cool to room temperature. The reaction mixture was filtered through bed of celite and the filtrate was condensed under reduced pressure. The remaining crude product mixture was 15 purified by column chromatography (100-200 mesh) on silica gel, using 5% ethyl acetate in hexanes as the eluant to afford LVIII (3.0 g, 86%) as a white solid.1H NMR (400 MHz, CDCl3) delta 7.81 (dd, J= 8.3, 1.3 Hz, 1H), 7.75 (s, 1H), 7.57 (s, 1H), 7.53 (d, J= 8.7 Hz, 2H), 7.29 (d, J= 8.7 Hz, 2H), 6.44 (s, 1H), 3.86 (s, 3H), 2.31 (s, 3H); MS (ESI, positive mode) m/z 300/302 (MH+, 35/37Cl).

Reference： [1]Patent: WO2020/6296,2020,A1 .Location in patent: Page/Page column 174
[2]Patent: WO2015/73528,2015,A1 .Location in patent: Page/Page column 149

20
[ 4518-10-9 ]
[ 67-64-1 ]
[ 184150-96-7 ]

Yield	Reaction Conditions	Operation in experiment
83%	With palladium diacetate; copper(II) acetate monohydrate; In dimethyl sulfoxide; at 80℃; for 48h;Sealed tube; Inert atmosphere;	prepared a degass ed mixture of compound LVI (10.0 g, 0.061 mol) and copper(II) acetate 10 monohydrate (36.2 g, 0.182 mol) in dimethyls ulfoxide (50 mL). To the flask was added acetone (100 mL), followed by palladium(II) acetate (0.270 g, 0.001 mol), and the resulting reaction mixture was heated at 80 C for 48 h. After cooling to room temperature, the reaction mixture was filtered through a pad of celite and the filtrate w as diluted with water (80 mL). The aqueous mixture w as extracted with ethyl acetate (3 x 100 mL) and the 148 of 363 {//-- DRAFT --//4069/3020WO/00228726/v2} 4069.3020 WO combined organic extracts were dried over anhydrous sodium sulfate. The organic layer was concentrated under reduced pressure to obtain the crude product mixture, which was purified by silica gel chromatography using a gradient of 5-7% ethyl acetate in hexanes as the eluant to affod LVII (4.8 g, 83%) as a pale yellow solid.1H NMR (400 MHz, CDCl3) delta 8.26 (brs, 5 1H), 8.04 (s, 1H), 7.77 (dd, J= 8.3, 3.4 Hz, 1H), 7.50 (d, J= 8.3 Hz, 1H), 6.26 (s, 1H), 3.92 (s, 3H), 2.47 (s, 3H); MS (ESI, positive mode) m/z 190 (MH+).

Reference： [1]Patent: WO2015/73528,2015,A1 .Location in patent: Page/Page column 148-149

21
(E)-methyl 2-(naphthalen-2-yl) diazenecarboxylate [ No CAS ]
[ 184150-96-7 ]
C₂₃H₂₁N₃O₄ [ No CAS ]

Reference： [1]Nature Chemistry,2018,vol. 10,p. 58 - 64

22
C₁₂H₁₀N₂O₂ [ No CAS ]
[ 184150-96-7 ]
C₂₃H₂₁N₃O₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
78%	With 6,6'-di(phenanthrenyl)phosphoric acid; In dichloromethane; at 20℃; for 4h;	General procedure: Thus, general reaction conditions for aniline oxime are obtained: at room temperature,Indole 2 (0.24 mmol, 1.2 eq) was added to a solution of azobenzene derivative 1 (0.2 mmol, 1.0 eq), CP6 (0.2 mol %) in DCM (4.0 mL),The reaction was stirred at room temperature until TLC showed disappearance of the azobenzene derivative 1, the reaction mixture was concentrated under reduced pressure and purified by silica gel column chromatography eluting with PE/EA to give the desired product 4.

Reference： [1]Patent: CN107501163,2017,A .Location in patent: Paragraph 0127; 0130; 0131; 0151

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Ghs Precautionary Statements

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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.
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. 184150-96-7 ] {[proInfo.proName]}

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[ 184150-96-7 ] Synthesis Path-Upstream 1~6

[ 184150-96-7 ] Synthesis Path-Downstream 1~22

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Esters

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[ 184150-96-7 ]

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