[ CAS No. 5402-60-8 ] {[proInfo.proName]}

Name: 5402-60-8|2-(Chloromethyl)-1,3-dimethylbenzene|98%
Brand: Ambeed
SKU: A548421
Price: 10.0 USD
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Quality Control of [ 5402-60-8 ]

COA NMR CNMR HPLC LC-MS

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Product Details of [ 5402-60-8 ]

CAS No. :	5402-60-8	MDL No. :	MFCD01310815
Formula :	C₉H₁₁Cl	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	HPVRFWQMBYLJRL-UHFFFAOYSA-N
M.W :	154.64	Pubchem ID :	221154
Synonyms :

Calculated chemistry of [ 5402-60-8 ]

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.33
Num. rotatable bonds :	1
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	46.14
TPSA :	0.0 Å²

Pharmacokinetics

GI absorption :	Low
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.08 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.27
Log Po/w (XLOGP3) :	3.04
Log Po/w (WLOGP) :	2.89
Log Po/w (MLOGP) :	3.56
Log Po/w (SILICOS-IT) :	3.73
Consensus Log Po/w :	3.1

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-3.09
Solubility :	0.125 mg/ml ; 0.000809 mol/l
Class :	Soluble
Log S (Ali) :	-2.71
Solubility :	0.304 mg/ml ; 0.00197 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.18
Solubility :	0.0103 mg/ml ; 0.0000665 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.1

Safety of [ 5402-60-8 ]

Signal Word:	Danger	Class:	8
Precautionary Statements:	P280-P305+P351+P338-P310	UN#:	3261
Hazard Statements:	H314	Packing Group:	Ⅲ
GHS Pictogram:

Application In Synthesis of [ 5402-60-8 ]

* 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 [ 5402-60-8 ]
Downstream synthetic route of [ 5402-60-8 ]

[ 5402-60-8 ] Synthesis Path-Upstream 1~11

1
[ 62285-58-9 ]
[ 5402-60-8 ]

Reference： [1] Acta Chemica Scandinavica, Series B: Organic Chemistry and Biochemistry, 1987, vol. 41, # 4, p. 235 - 244
[2] Philosophical Transactions of the Royal Society of London, 1948, vol. <A> 241, p. 147,188
[3] Journal of the Chemical Society, 1956, p. 850,854
[4] Journal of the American Chemical Society, 1960, vol. 82, p. 1349 - 1352
[5] Journal of the American Chemical Society, 1972, vol. 94, p. 29 - 34
[6] Tetrahedron, 1969, vol. 25, p. 4455 - 4465
[7] Recueil des Travaux Chimiques des Pays-Bas, 1960, vol. 79, p. 1211 - 1222
[8] Journal of Medicinal Chemistry, 1981, vol. 24, # 4, p. 382 - 389
[9] Chemosphere, 1999, vol. 38, # 9, p. 2065 - 2070
[10] Journal of Medicinal Chemistry, 1999, vol. 42, # 10, p. 1789 - 1802
[11] Patent: WO2005/18628, 2005, A1, . Location in patent: Page 30

2
[ 14920-81-1 ]
[ 5402-60-8 ]

Reference： [1] Journal of Medicinal Chemistry, 1999, vol. 42, # 10, p. 1789 - 1802
[2] Recueil des Travaux Chimiques des Pays-Bas, 1960, vol. 79, p. 1211 - 1222

3
[ 1123-56-4 ]
[ 5402-60-8 ]

Reference： [1] Journal of Medicinal Chemistry, 1981, vol. 24, # 4, p. 382 - 389

4
[ 608-28-6 ]
[ 5402-60-8 ]

Reference： [1] Journal of the American Chemical Society, 1960, vol. 82, p. 1349 - 1352

5
[ 50-00-0 ]
[ 108-38-3 ]
[ 5402-60-8 ]
[ 824-55-5 ]

Reference： [1] Journal of Organometallic Chemistry, 2005, vol. 690, # 4, p. 1067 - 1079

6
[ 632-46-2 ]
[ 5402-60-8 ]

Reference： [1] Journal of the Chemical Society, 1956, p. 850,854
[2] Recueil des Travaux Chimiques des Pays-Bas, 1960, vol. 79, p. 1211 - 1222
[3] Tetrahedron, 1969, vol. 25, p. 4455 - 4465

7
[ 576-22-7 ]
[ 5402-60-8 ]

Reference： [1] Recueil des Travaux Chimiques des Pays-Bas, 1960, vol. 79, p. 1211 - 1222

8
[ 87-62-7 ]
[ 5402-60-8 ]

Reference： [1] Recueil des Travaux Chimiques des Pays-Bas, 1960, vol. 79, p. 1211 - 1222

9
[ 7093-91-6 ]
[ 108-38-3 ]
[ 5402-60-8 ]
[ 56651-59-3 ]
[ 824-55-5 ]

Reference： [1] Journal of Organic Chemistry USSR (English Translation), 1984, vol. 20, p. 654 - 660[2] Zhurnal Organicheskoi Khimii, 1984, vol. 20, # 4, p. 721 - 727
[3] Journal of Organic Chemistry USSR (English Translation), 1984, vol. 20, p. 654 - 660[4] Zhurnal Organicheskoi Khimii, 1984, vol. 20, # 4, p. 721 - 727

10
[ 5402-60-8 ]
[ 938-50-1 ]

Reference： [1] Recueil des Travaux Chimiques des Pays-Bas, 1960, vol. 79, p. 1211 - 1222

11
[ 5402-60-8 ]
[ 74788-82-2 ]

Reference： [1] Journal of Medicinal Chemistry, 1999, vol. 42, # 10, p. 1789 - 1802

[ 5402-60-8 ] Synthesis Path-Downstream 1~16

1
[ 62285-58-9 ]
[ 5402-60-8 ]

Yield	Reaction Conditions	Operation in experiment
	With thionyl chloride; at 20℃; for 6h;	To a stirred solution of 2, 6-Dimethylbenzyl alcohol (9.94 g, 73 mmol) was added thionyl chloride (81.55 g, 685 mmol) at room temperature. The reaction mixture was stirred for 6 hours, concentrated under reduced pressure and used without further purification.

Reference： [1]Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry,1987,vol. 41,p. 235 - 244
[2]Philosophical Transactions of the Royal Society of London,1948,vol. <A> 241,p. 147,188
[3]Journal of the Chemical Society,1956,p. 850,854
[4]Journal of the American Chemical Society,1960,vol. 82,p. 1349 - 1352
[5]Journal of Medicinal Chemistry,1981,vol. 24,p. 382 - 389
[6]Chemosphere,1999,vol. 38,p. 2065 - 2070
[7]Journal of Medicinal Chemistry,1999,vol. 42,p. 1789 - 1802
[8]Patent: WO2005/18628,2005,A1 .Location in patent: Page 30

2
[ 5402-60-8 ]
[ 74788-82-2 ]

Reference： [1]Journal of Medicinal Chemistry,1999,vol. 42,p. 1789 - 1802

3
[ 14920-81-1 ]
[ 5402-60-8 ]

Reference： [1]Journal of Medicinal Chemistry,1999,vol. 42,p. 1789 - 1802
[2]Recueil des Travaux Chimiques des Pays-Bas,1960,vol. 79,p. 1211 - 1222

4
[ 5402-60-8 ]
[ 938-50-1 ]

Reference： [1]Recueil des Travaux Chimiques des Pays-Bas,1960,vol. 79,p. 1211 - 1222

5
[ 212268-15-0 ]
[ 13651-55-3 ]
[ 5402-60-8 ]
[ 212267-75-9 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium iodide; sodium carbonate; In dichloromethane; ethyl acetate; acetone; Petroleum ether;	Example 1.8 Synthesis of 6-bromo-2,3-dimethyl-8-(2,6-dimethylbenzylamino)imidazo[1,2-a]pyridine A mixture of 8-amino-6-bromo-2,3-dimethylimidazo[1,2-a]pyridine (1.2 g, 5.0 mmol), 2,6-dimethylbenzylchloride (0.772 g, 5.0 mmol), sodium carbonate (0.8 g), sodium iodide (0.2 g) and acetone (45 ml) was stirred overnight. More 2,3-dimethylbenzylchloride (0.285 g) was added and the reaction mixture was refluxed for 5 h. After addition of acetone the reaction mixture was filtered. The solvent was removed in vacuo and the residue was dissolved in CH2Cl2, washed with NaHCO3, dried over Na2SO4 and evaporated. The crude product dissolved in ethyl acetate and petroleum ether was added. Filtration and evaporation of the solvent gave a residue which was recrystallized from ethyl acetate to give 1.45 g of the title compound. 1H NMR (300 MHz, CDCl3): delta7.37 (d, J=1.5 Hz, 1H), 7.15-7.09 (m, 1H), 7.04 (d, J=7.5 Hz, 2H), 6.28 (d, J=1.5 Hz, 1H), 4.88 ("t", 1H). 4.33 (d, J=4.13 Hz, 2H), 2.38 (s, 6H), 2.3 (s, 3H), 2.29 (s, 3H).

Reference： [1]Patent: US6265415,2001,B1

6
[ 6100-74-9 ]
[ 5402-60-8 ]
[ 1400634-09-4 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; In N,N-dimethyl-formamide; at 20℃; for 16h;Inert atmosphere;	EXAMPLE 2: SYNTHESIS OF 2-(3-(2,6-DIMETHYLBENZYLOXY)-4- METHOXYPHENYL)-2-OXOACETIC ACID; 2-(3-(2,6-dimethylbenzyloxy)-4-methoxyphenyl)-2-oxoacetic acid Step A: Preparation of l-(3-(2,6-dimethylbenzyloxy)-4-methoxyphenyl)ethanone:To a stirred solution of l-(3-hydroxy-4-methoxyphenyl)ethanone (5g, 30mmol), and K2C03 (8.32g, 60.2mmol) in dry DMF (20ml) was added 2,6-dimethylbenzyl chloride (4.89g, 31.6mmol) under argon. The reaction mixture was stirred at ambient temperature for 16 hours, diluted with ethyl acetate, washed with water (2X), and brine. The organic layer was dried over Na2S04, filtered, concentrated, and purified by flash chromatography on a silica gel column (hexane: ethyl acetate, 2:1) to give the title compound as off white solid.1H NMR (400 MHz, CDC13): 2.38 (s, 6H); 2.57 (s, 3H); 3.83 (s, 3H); 5.09 (s, 2H); 7.04 (d, 2H); 7.15-7.17 (m, 2H); 7.62 (d, 1H); 7.63 (s, 1H).

Reference： [1]Patent: WO2012/125533,2012,A1 .Location in patent: Page/Page column 28

7
[ 5402-60-8 ]
[ 704-91-6 ]
2,6-dimethylbenzyl 3-chloro-1-(2,6-dimethylbenzyl)-1H-indazole-6-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
195 mg		To a solution of <strong>[704-91-6]1H-<strong>[704-91-6]indazole-6-carboxylic acid</strong></strong> (343 mg) in acetonitrile (10 mL) was addedN-chlorosuccinimide (313 mg), and the reaction mixture was stirred at 60°C for 2 hours. The reaction mixture was concentrated under reduced pressure, and then acetone (10 mL), potassium carbonate (883 mg) and 2,6-dimethylbenzyl chloride (724 mg) were added and the reaction mixture was stirred at room temperature for 2 days. The reaction mixture was quenched with 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 (195 mg) as a white solid. 1H-NMR (400 MHz, CDCl3) delta: 7.79 (1H, d, J = 8.8 Hz), 7.65 (2H, d, J = 8.1 Hz) 7.26-7.23 (1H, m), 7.14 (2H, d, J = 7.6 Hz), 7.06-7.02 (1H, m), 6.92 (2H, d, J = 7.6 Hz), 5.54 (2H, s), 5.40 (2H, s), 2.42 (6H, s), 2.25 (6H, s).

Reference： [1]Patent: EP2669270,2013,A1 .Location in patent: Paragraph 0868-0869

8
[ 5402-60-8 ]
[ 184151-49-3 ]
methyl 1-(2,6-dimethylbenzyl)-3-methyl-1H-indole-6-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
2.6 g	With potassium carbonate; In N,N-dimethyl-formamide; at 130℃; for 5h;	(1) Synthesis of methyl 1-(2,6-dimethylbenzyl)-3-methyl-1H-indole-6-carboxylate [61-1] (hereinafter referred to as a compound [61-1]) To a solution of <strong>[184151-49-3]methyl 3-methyl-1H-indole-6-carboxylate</strong> (2.2 g) obtained by the method described in the document () in N,N-dimethylformamide (20 mL) were added potassium carbonate (3.1 g) and 2,6-dimethylbenzyl chloride (2.7 g) at room temperature, and then the reaction mixture was stirred at 130C for 5 hours. After cooling to room temperature, the reaction mixture was quenched with 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 re-crystallization to give the titled compound (2.6 g) as a yellow solid. 1H-NMR (400 MHz, CDCl3) delta: 8.24 (1H, dd, J = 1.3, 0.6 Hz), 7.83 (1H, dd, J = 8.3, 1.5 Hz), 7.58 (1H, dd, J=8.4, 0.6 Hz), 7.23 (1H, dd, J = 8.3, 6.8 Hz), 7.13 (2H, d, J = 7.6 Hz), 6.51 (1H, s), 5.26 (2H, s), 3.97 (3H, s), 2.26 (6H, s), 2.23 (3H, s).

Reference： [1]Patent: EP2669270,2013,A1 .Location in patent: Paragraph 0491-0492

9
[ 5402-60-8 ]
[ 1015609-11-6 ]
methyl 1-(2,6-dimethylbenzyl)-1H-pyrrolo[3,2-b]pyridine-6-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
21 mg	With potassium carbonate; In 1-methyl-pyrrolidin-2-one; at 160℃; for 0.5h;Microwave irradiation;	(1) Synthesis of methyl 1-(2,6-dimethylbenzyl)-1H-pyrrolo[3,2-b]pyridine-6-carboxyl ate [95-1] (hereinafter referred to as a compound [95-1]) To a solution of <strong>[1015609-11-6]methyl 1H-pyrrolo[3,2-b]pyridin-6-carboxylate</strong> (50 mg) in N-methyl-2-pyrrolidone (1 mL) were added potassium carbonate (158 mg) and 2,6-dimethylbenzyl chloride (91 mg), and then the reaction mixture was subj ected to microwave irradiation at 160C for 30 minutes. The reaction mixture was quenched with 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 (21 mg) as a white solid. 1H-NMR (400 MHz, CDCl3) δ: 9.14 (1H, s), 8.45 (1H, s), 7.25 (1H, t, J = 7.3Hz), 7.15 (2H, d, J = 7.3 Hz), 7.02 (1H, d, J = 3.0 Hz), 6.67 (1H, d, J = 3.0 Hz), 5.33 (2H, s), 4.00 (3H, s), 2.26 (6H, s). ESI-MS found: 295 [M+H]+

Reference： [1]Patent: EP2669270,2013,A1 .Location in patent: Paragraph 0648-0649

10
[ 5402-60-8 ]
[ 1015609-11-6 ]
1-(2,6-dimethylbenzyl)-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid [ No CAS ]

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

11
[ 5402-60-8 ]
[ 7746-27-2 ]
6-bromo-1-(2,6-dimethylbenzyl)-3-methyl-1H-indazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
555 mg	With potassium carbonate; In N,N-dimethyl-formamide; at 20℃; for 20h;	To a solution of <strong>[7746-27-2]6-bromo-3-methyl-1H-indazole</strong>, (467 mg) obtained with the method described in the document (JP 2009-528363 W) in N,N-dimethylformamide (10 mL) were added potassium carbonate (618 mg) and 2,6-dimethylbenzyl chloride (518 mg) at room temperature, and then the reaction mixture was stirred at room temperature for 20 hours. The reaction mixture was quenched with 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 (555 mg) as a white solid. 1H-NMR (400 MHz, CDCl3) delta:7.47 (1H, d, J = 8.8Hz), 7.22-7.14 (2H, m), 7.11-7.09 (3H, m), 5.45 (2H, s), 2.51 (3H, s), 2.33 (6H, s).

Reference： [1]Patent: EP2669270,2013,A1 .Location in patent: Paragraph 0511-0512

12
[ 5402-60-8 ]
[ 189882-33-5 ]
1-(2,6-dimethylbenzyl)-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
67 mg	With potassium carbonate; In N,N-dimethyl-formamide; at 20℃; for 3h;	To a solution of the compound [96-2] obtained in the process (2) (40 mg) in N,N-dimethylformamide (2 mL) were added potassium carbonate (82 mg) and 2,6-dimethylbenzyl chloride (69 mg) at room temperature, and then the reaction mixture was stirred at room temperature for 3 hours. The reaction mixture was quenched with water, and extracted with chloroform. 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 (67 mg) as a white solid. 1H-NMR (400 MHz, CDCl3) delta: 7.98 (1H, d, J = 7.8 Hz), 7.49 (1H, d, J = 8.1 Hz), 7.22 (1H, dd, J = 8.2, 7.0 Hz), 7.12 (2H, d, J = 7.6 Hz), 6.96 (1H, d, J = 3.4 Hz), 6.46 (1H, d, J = 3.7 Hz), 5.49 (2H, s), 2.27 (6H, s).

Reference： [1]Patent: EP2669270,2013,A1 .Location in patent: Paragraph 0656-0657

13
[ 5402-60-8 ]
[ 141607-09-2 ]
ethyl 3-(2,6-dimethylbenzyloxy)-2-methylbenzoate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; In N,N-dimethyl-formamide; at 20℃; for 16.0h;Inert atmosphere;	Step B: Preparation of Ethyl 3-(2,6-dimethylbenzyloxy)-2-methylbenzoate: Two a stirred solution of Ethyl 3-hydroxy-2-methylbenzoate (Step A, 3.1 g, 17.22 mmol), K2CO3 (3.09 g, 22.38 mmol) in dry DMF (15 ml) was added 2,6-Dimethylbenzyl chloride (3.19 g, 20.66 mmol) at room temperature under argon. The reaction mixture was stirred for 16 hours, diluted with EtOAc (40 ml), washed with water (20 ml) and brine. The organic layer was dried over Na2SO4, filtered, concentrated, and purified by flash chromatography on a silica gel column (hex: methyl acetate 4:1) to give the title compound as a white solid.

Reference： [1]Patent: EP2282736,2015,B1 .Location in patent: Paragraph 0134

14
[ 5402-60-8 ]
[ 66495-88-3 ]
3-(2,6-dimethylbenzyloxy)-2-methoxybenzaldehyde [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; In N,N-dimethyl-formamide; at 20℃; for 16h;Inert atmosphere;	Step A: Preparation of 3-(2,6-Dimethylbenzyloxy)-2-methoxybenzaldehyde: The solution of <strong>[66495-88-3]3-hydroxy-2-methoxybenzaldehyde</strong> (5.06 g, 32.7 mmol), 2,6-Dimethylbenzyl chloride (5,04 g, 33.1 mmol) and K2CO3 (4.78 g, 34.6 mmol) in dry DMF (15 ml) was stirred at room temperature under argon for 16 hours, then diluted with EtOAc (40 ml), and washed with water (20 ml). The organic layer was concentrated, and purified by flash chromatography on a silica gel column (hex: ethyl acetate 4:1) to give the title compound as an off white solid.

Reference： [1]Patent: EP2282736,2015,B1 .Location in patent: Paragraph 0141

15
[ 5402-60-8 ]
[ 2551-83-9 ]
[ 101773-24-4 ]

Yield	Reaction Conditions	Operation in experiment
83%		In the 25mL reactor, was added tetrakis (triphenylphosphine) palladium after (0.023g, 0.02mmol), purged with nitrogen three times, was added 3mL of anhydrous dichloromethane, was added with stirring 2,6 benzyl chloride (0.03lg, 0.2mmo 1), <strong>[2551-83-9]allyl trimethoxysilane</strong> (67yL, 0.4mmo 1) and tetrabutylammonium fluoride (0.6mL, 0.6mmo 1), 25 C under stirring for 18h, added p-toluenesulfonic acid (0.076g, 0.4mmol) and stirring was continued 24h.Column chromatography (silica gel, 200-300 mesh; eluent, petroleum ether) to give 5-propyl-1,2,3-trimethylbenzene dilute 0.027g, 83% yield.

Reference： [1]Patent: CN105732253,2016,A .Location in patent: Paragraph 0037; 0038
[2]Journal of Organic Chemistry,2017,vol. 82,p. 5974 - 5980

16
[ 7205-94-9 ]
[ 5402-60-8 ]
1-chloro-2-(2,6-dimethylphenyl)ethyl phenyl sulfoxide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
84%	Stage #1: chloromethyl phenyl sulfoxide With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 1h; Inert atmosphere; Stage #2: 2,6-dimethylbenzyl chloride In tetrahydrofuran at -78 - 20℃; Inert atmosphere;

Reference： [1]Monticelli, Serena; Urban, Ernst; Langer, Thierry; Holzer, Wolfgang; Pace, Vittorio [Advanced Synthesis and Catalysis, 2019, vol. 361, # 5, p. 1001 - 1006]

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Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
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P103	Read label before use
Prevention
Code	Phrase
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P202	Do not handle until all safety precautions have been read and understood.
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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
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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.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
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:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
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. 5402-60-8 ] {[proInfo.proName]}

Quality Control of [ 5402-60-8 ]

Related Doc. of [ 5402-60-8 ]

Product Details of [ 5402-60-8 ]

Calculated chemistry of [ 5402-60-8 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 5402-60-8 ]

Application In Synthesis of [ 5402-60-8 ]

[ 5402-60-8 ] Synthesis Path-Upstream 1~11

[ 5402-60-8 ] Synthesis Path-Downstream 1~16

Related Functional Groups of [ 5402-60-8 ]

Aryls

Chlorides

Benzyl Chlorides

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 5402-60-8 ]