[ CAS No. 477781-69-4 ]

Name: 477781-69-4|1-Phenyl-2,5,8,11-tetraoxatridecan-13-yl methanesulfonate|97%
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Quality Control of [ 477781-69-4 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 477781-69-4 ]

Product Details of [ 477781-69-4 ]

CAS No. :	477781-69-4	MDL No. :	MFCD30342472
Formula :	C₁₆H₂₆O₇S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	DAODDIFNUYIKRO-UHFFFAOYSA-N
M.W :	362.44 g/mol	Pubchem ID :	24180090
Synonyms :

Calculated chemistry of [ 477781-69-4 ]

Physicochemical Properties

Num. heavy atoms :	24
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.62
Num. rotatable bonds :	15
Num. H-bond acceptors :	7.0
Num. H-bond donors :	0.0
Molar Refractivity :	89.06
TPSA :	88.67 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-8.12 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.6
Log Po/w (XLOGP3) :	0.55
Log Po/w (WLOGP) :	2.16
Log Po/w (MLOGP) :	0.45
Log Po/w (SILICOS-IT) :	2.32
Consensus Log Po/w :	1.82

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.63
Solubility :	8.52 mg/ml ; 0.0235 mol/l
Class :	Very soluble
Log S (Ali) :	-1.98
Solubility :	3.76 mg/ml ; 0.0104 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-5.01
Solubility :	0.00357 mg/ml ; 0.00000984 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	3.4

Safety of [ 477781-69-4 ]

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 [ 477781-69-4 ]

* 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 [ 477781-69-4 ]
Downstream synthetic route of [ 477781-69-4 ]

[ 477781-69-4 ] Synthesis Path-Upstream 1~5

1
[ 86259-87-2 ]
[ 124-63-0 ]
[ 477781-69-4 ]

Yield	Reaction Conditions	Operation in experiment
98%	With triethylamine In dichloromethane at 0 - 20℃;	To a stirred mixture of 7' (45.1 g, 159 mmol) and triethylamine (62.2 g, 636 mmol) in dichloromethane (800 mL) at 0 ⁰C was added methanesulfonyl chloride (36.4 g, 318 mmol). After the addition, the reaction mixture was stirred overnight at room temperature. The reaction mixture was quenched with IN HCl (300 mL), extracted with ethyl acetate. The combined organic phase was dried over magnesium sulfate, concentrated to dryness and flash chromatography to afford compound 8' (56.2 g, 98percent) as clear oil. b. METHANESULFONATE 8'[00311] To a stirred solution of alcohol 7' (69.3 g, 243.7 mmol) and triethylamine(49.2 g, 68.4 mL, 487.0 mmol) in CH₂Cl₂ (700 mL) at 0 ⁰C was added methanesulfonyl chloride (41.9 g, 28.3 mL, 365.6 mmol). The resulted mixture was stirred at rt. overnight and quenched with water (400 mL). Organic phase was collected and the aqueous phase was extracted with ethyl acetate. The combined organic phase was washed with 2N HCl (100 mL), brine (100 mL) and dried over anhydrous magnesium sulfate. Concentrated the solution under vacuum gave the methanesulfonate 8' as clear oil (86.6 g, 98percent). ¹H NMR (400 MHz, CD₃Cl₃) δ 7.25-7.32 (m, 5H), 4.54 (s, 2H), 4.32-4.34 (m, 2H), 3.71-3.73 (m, 2H), 3.59-3.66 (m, 12H), 3.03 (s, 3H). i. METHANESULFONATE 8'[00336] To a stirred solution of alcohol T (69.3 g, 243.7 mmol) and triethylamine(49.2 g, 68.4 mL, 487.0 mmol) in CH₂Cl₂ (700 mL) at 0 ⁰C was added methanesulfonyl chloride (41.9 g, 28.3 mL, 365.6 mmol). The resulting mixture was stirred at rt. overnight and quenched with water (400 mL). The organic phase was collected, and the aqueous phase was extracted with ethyl acetate. The combined organic phase was washed with 2N HCl (100 mL) and brine (100 mL) and then dried over anhydrous magnesium sulfate. Concentration of the solution under vacuum gave the methanesulfonate 8' as clear oil (86.6 g, 98percent). ¹H NMR (400 MHz, CD₃Cl₃) δ 7.25-7.32 (m. 5H), 4.54 (s, 2H), 4.32-4.34 (m, 2H), 3.71-3.73 (m, 2H), 3.59-3.66 (m, 12H), 3.03 (s, 3H).
89%	Stage #1: With triethylamine In dichloromethane at 0℃; for 0.25 h; Stage #2: at 0 - 20℃; for 2.5 h;	To a solution of CH2CI2 (20 mL) was added monodispersed tetraethylene glycol monobenzylether 23 (6.21 g, 22 mmol) and cooled to 0° C. in an ice bath. Then triethylamine (3.2 mL, 24 mmol) was added and the reaction mixture was stirred for 15 min at 0° C. Then methanesulfonyl chloride (1.7 mL, 24 mmol) dissolved in CH2CI2 (2 mL) was added and the reaction mixture was stirred at 0° C. for 30 min, the ice bath was removed and the reaction was stirred for an additional 2 h at room temperature. The crude reaction mixture was filtered through Celite (washed CH2CI2, 80 mL) and the filtrate was washed H2O (100 mL), 5percent NaHCO3 (2.x.100 mL), H20 (100 mL), sat. NaCl (100 mL), and dried MgSO4. The resulting yellow oil was chromatographed on a pad of silica containing activated carbon (10 g) to afford the monodispersed compound 24 as a clear oil (7.10 g, 89percent yield).

Reference： [1] Patent: WO2007/112100, 2007, A2, . Location in patent: Page/Page column 44; 103; 110; 128-130; 139
[2] Synthesis, 2008, # 2, p. 215 - 220
[3] Journal of Organic Chemistry, 2007, vol. 72, # 25, p. 9679 - 9689
[4] Patent: US2003/229009, 2003, A1, . Location in patent: Page 40
[5] Journal of Organic Chemistry, 2006, vol. 71, # 26, p. 9884 - 9886
[6] Chemical Communications, 2014, vol. 50, # 58, p. 7800 - 7802

2
[ 112-60-7 ]
[ 124-63-0 ]
[ 477781-69-4 ]

Reference： [1] Journal of Organic Chemistry, 2008, vol. 73, # 4, p. 1371 - 1378

3
[ 112-76-5 ]
[ 477775-73-8 ]
[ 477781-69-4 ]

Reference： [1] Patent: US2003/228275, 2003, A1, . Location in patent: Page 44

4
[ 112-60-7 ]
[ 477781-69-4 ]

Reference： [1] Journal of Organic Chemistry, 2006, vol. 71, # 26, p. 9884 - 9886
[2] Chemical Communications, 2014, vol. 50, # 58, p. 7800 - 7802

5
[ 100-39-0 ]
[ 477781-69-4 ]

Reference： [1] Chemical Communications, 2014, vol. 50, # 58, p. 7800 - 7802

[ 477781-69-4 ] Synthesis Path-Downstream 1~5

1
[ 86259-87-2 ]
[ 124-63-0 ]
[ 477781-69-4 ]

Yield	Reaction Conditions	Operation in experiment
100%	With triethylamine In dichloromethane at -5 - 20℃; for 18h; Inert atmosphere;	7.1 Step (1) 2-[2-[2-(2-benzyloxyethoxy)ethoxy]ethoxy]ethanol (50 g, 176 mmol) and triethylamine (35.6 g, 352 mmol) in dry dichloromethane (500 mL) under nitrogen were cooled to -5°C. Methanesulfonyl chloride (30.2 g, 264 mmol) in dry DCM (20 mL) was added dropwise to this solution at 0°C. The mixture was allowed to warm to room temperature and stirred at room temperature for 18 h. Tri-ethylamine hydrochloride was fdtered off, and the DCM solution was washed with 0.1 N HC1 and dried over sodium sulfate. Removing the solvent afforded 2-[2- [2-(2-benzyloxyethoxy)ethoxy] ethoxy] ethyl methanesulfonate (69.1 g, 175 mmol, quant.) as light yellow oil which was used without further purification. NMR (400 MHz, CDCh) d 7.37 - 7.27 (m, 5H), 4.56 (s, 2H), 4.39 - 4.33 (m, 2H), 3.78 - 3.73 (m, 2H), 3.69 - 3.60 (m, 12H), 3.06 (s, 3H).
100%	With triethylamine In dichloromethane at -5 - 20℃; for 18h; Inert atmosphere;	12.1; 18.1 Step (1) 2-[2-[2-(2-benzyloxyethoxy)ethoxy]ethoxy]ethanol (50 g, 176 mmol) and triethylamine (35.6 g, 352 mmol) in dry dichloromethane (500 mL) under nitrogen were cooled to -5°C. Methanesulfonyl chloride (30.2 g, 264 mmol) in dry DCM (20 mL) was added dropwise to this solution at 0°C. The mixture was allowed to warm to room temperature and stirred at room temperature for 18 hrs. Triethylamine hydrochloride was filtered off, and the DCM solution was washed with 0.1 N HCl and dried over sodium sulfate. Removing the solvent afforded 2-[2-[2-(2-benzyloxyethoxy)ethoxy]ethoxy]ethyl methanesulfonate (69.1 g, 175 mmol, quant.) as light yellow oil which was used without further purification. 1H NMR (400 MHz, CDCl3) δ 7.37 - 7.27 (m, 5H), 4.56 (s, 2H), 4.39 - 4.33 (m, 2H), 3.78 - 3.73 (m, 2H), 3.69 - 3.60 (m, 12H), 3.06 (s, 3H).
100%	With triethylamine In dichloromethane at -5 - 20℃; for 18h; Inert atmosphere;	7.1 Step (1) 2-[2-[2-(2-benzyloxyethoxy)ethoxy]ethoxy]ethanol (50 g, 176 mmol) and triethylamine (35.6 g, 352 mmol) in dry dichloromethane (500 mL) under nitrogen were cooled to -5°C. Methanesulfonyl chloride (30.2 g, 264 mmol) in dry DCM (20 mL) was added dropwise to this solution at 0°C. The mixture was allowed to warm to room temperature and stirred at room temperature for 18 h. Tri-ethylamine hydrochloride was fdtered off, and the DCM solution was washed with 0.1 N HC1 and dried over sodium sulfate. Removing the solvent afforded 2-[2- [2-(2-benzyloxyethoxy)ethoxy] ethoxy] ethyl methanesulfonate (69.1 g, 175 mmol, quant.) as light yellow oil which was used without further purification. NMR (400 MHz, CDCh) d 7.37 - 7.27 (m, 5H), 4.56 (s, 2H), 4.39 - 4.33 (m, 2H), 3.78 - 3.73 (m, 2H), 3.69 - 3.60 (m, 12H), 3.06 (s, 3H).

99%	With triethylamine In dichloromethane at 0 - 20℃; for 3h; Inert atmosphere;
98%	With triethylamine In dichloromethane at 0 - 20℃;	3; 7.b; 8.b; 9.i; 12 To a stirred mixture of 7' (45.1 g, 159 mmol) and triethylamine (62.2 g, 636 mmol) in dichloromethane (800 mL) at 0 0C was added methanesulfonyl chloride (36.4 g, 318 mmol). After the addition, the reaction mixture was stirred overnight at room temperature. The reaction mixture was quenched with IN HCl (300 mL), extracted with ethyl acetate. The combined organic phase was dried over magnesium sulfate, concentrated to dryness and flash chromatography to afford compound 8' (56.2 g, 98%) as clear oil. b. METHANESULFONATE 8'[00311] To a stirred solution of alcohol 7' (69.3 g, 243.7 mmol) and triethylamine(49.2 g, 68.4 mL, 487.0 mmol) in CH2Cl2 (700 mL) at 0 0C was added methanesulfonyl chloride (41.9 g, 28.3 mL, 365.6 mmol). The resulted mixture was stirred at rt. overnight and quenched with water (400 mL). Organic phase was collected and the aqueous phase was extracted with ethyl acetate. The combined organic phase was washed with 2N HCl (100 mL), brine (100 mL) and dried over anhydrous magnesium sulfate. Concentrated the solution under vacuum gave the methanesulfonate 8' as clear oil (86.6 g, 98%). 1H NMR (400 MHz, CD3Cl3) δ 7.25-7.32 (m, 5H), 4.54 (s, 2H), 4.32-4.34 (m, 2H), 3.71-3.73 (m, 2H), 3.59-3.66 (m, 12H), 3.03 (s, 3H). i. METHANESULFONATE 8'[00336] To a stirred solution of alcohol T (69.3 g, 243.7 mmol) and triethylamine(49.2 g, 68.4 mL, 487.0 mmol) in CH2Cl2 (700 mL) at 0 0C was added methanesulfonyl chloride (41.9 g, 28.3 mL, 365.6 mmol). The resulting mixture was stirred at rt. overnight and quenched with water (400 mL). The organic phase was collected, and the aqueous phase was extracted with ethyl acetate. The combined organic phase was washed with 2N HCl (100 mL) and brine (100 mL) and then dried over anhydrous magnesium sulfate. Concentration of the solution under vacuum gave the methanesulfonate 8' as clear oil (86.6 g, 98%). 1H NMR (400 MHz, CD3Cl3) δ 7.25-7.32 (m. 5H), 4.54 (s, 2H), 4.32-4.34 (m, 2H), 3.71-3.73 (m, 2H), 3.59-3.66 (m, 12H), 3.03 (s, 3H).
98%	With triethylamine In dichloromethane at 20℃;
95%	With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃;
89%	Stage #1: 2-[2-[2-(2-benzyloxyethoxy)ethoxy]ethoxy]ethanol With triethylamine In dichloromethane at 0℃; for 0.25h; Stage #2: methanesulfonyl chloride In dichloromethane at 0 - 20℃; for 2.5h;	5 Mesylate of Tetraethylene Glycol Monobenzylether (24). To a solution of CH2CI2 (20 mL) was added monodispersed tetraethylene glycol monobenzylether 23 (6.21 g, 22 mmol) and cooled to 0° C. in an ice bath. Then triethylamine (3.2 mL, 24 mmol) was added and the reaction mixture was stirred for 15 min at 0° C. Then methanesulfonyl chloride (1.7 mL, 24 mmol) dissolved in CH2CI2 (2 mL) was added and the reaction mixture was stirred at 0° C. for 30 min, the ice bath was removed and the reaction was stirred for an additional 2 h at room temperature. The crude reaction mixture was filtered through Celite (washed CH2CI2, 80 mL) and the filtrate was washed H2O (100 mL), 5% NaHCO3 (2×100 mL), H20 (100 mL), sat. NaCl (100 mL), and dried MgSO4. The resulting yellow oil was chromatographed on a pad of silica containing activated carbon (10 g) to afford the monodispersed compound 24 as a clear oil (7.10 g, 89% yield).
	With pyridine at 20℃; for 20h;
2.64 g	With triethylamine In dichloromethane at -30 - 20℃; for 15.16h;
	With triethylamine In dichloromethane at 0℃; for 2h;
	With triethylamine In dichloromethane at 0 - 20℃; for 2h; Inert atmosphere;	3.2.4. General procedure D General procedure: Methanesulfonyl chloride (1.5 equiv.) was added drop-wise to astirred solution of alcohol (1 equiv.) and Et3N (1.5 equiv.) in anhydrousDCM (30 mL) at 0 C under nitrogen. The reaction wasallowed to warm to room temperature, and stirred for 2 h. Thereaction mixture was poured into methanol (10 mL), and concentratedin vacuo. The reaction mixture was then diluted with diethylether (20 mL), washed with water (3 20 mL) and brine(3 20 mL). The combined organic extracts were then dried overanhydrous MgSO4, filtered, and concentrated in vacuo. The residuewas dissolved in DMF (25 mL), sodium azide (3 equiv.) was added, and the mixture was stirred at 60 C for 16 h. The reaction mixturewas concentrated in vacuo, and The reaction mixture was thendiluted with diethyl ether (50 mL), washed with water (3 20 mL)and brine (3 30 mL), dried over anhydrous MgSO4, filtered, andconcentrated in vacuo, to give a residue which was purified by flashchromatography.

Reference： [1]Current Patent Assignee: SANOFI - WO2022/13443, 2022, A1 Location in patent: Page/Page column 89-91
[2]Current Patent Assignee: SANOFI - WO2022/13439, 2022, A1 Location in patent: Page/Page column 7; 115; 146
[3]Current Patent Assignee: SANOFI - WO2022/13443, 2022, A1 Location in patent: Page/Page column 89-91
[4]Steinebach, Christian; Sosič, Izidor; Lindner, Stefanie; Bricelj, Aleša; Kohl, Franziska; Ng, Yuen Lam Dora; Monschke, Marius; Wagner, Karl G.; Krönke, Jan; Gütschow, Michael [MedChemComm, 2019, vol. 10, # 6, p. 1037 - 1041]
[5]Current Patent Assignee: UNIVERSITY OF UTAH - WO2007/112100, 2007, A2 Location in patent: Page/Page column 44; 103; 110; 128-130; 139
[6]Jiang, Zhong-Xing; Yu, Y. Bruce [Synthesis, 2008, # 2, p. 215 - 220]
[7]Coppola, Cinzia; Saggiomo, Vittorio; Di Fabio, Giovanni; De Napoli, Lorenzo; Montesarchio, Daniela [Journal of Organic Chemistry, 2007, vol. 72, # 25, p. 9679 - 9689]
[8]Current Patent Assignee: BIOCON LIMITED - US2003/229009, 2003, A1 Location in patent: Page 40
[9]Ahmed, Saleh A.; Tanaka, Mutsuo [Journal of Organic Chemistry, 2006, vol. 71, # 26, p. 9884 - 9886]
[10]Viart; Larsen; Tassone; Andresen; Clausen [Chemical Communications, 2014, vol. 50, # 58, p. 7800 - 7802]
[11]Bonnet, Nelly; O'Hagan, David; Haehner, Georg [Chemical Communications, 2007, # 47, p. 5066 - 5068]
[12]Suthagar, Kajitha; Watson, Andrew J.A.; Wilkinson, Brendan L.; Fairbanks, Antony J. [European Journal of Medicinal Chemistry, 2015, vol. 102, p. 153 - 166]

2
[ 477781-69-4 ]
[ 6790-09-6 ]

Reference： [1]Journal of Organic Chemistry,2006,vol. 71,p. 9884 - 9886

3
[ 112-76-5 ]
[ 477775-73-8 ]
[ 477781-69-4 ]

Yield	Reaction Conditions	Operation in experiment
	With pyridine; In benzene; for 18h;	To a stirred cooled solution of non-polydispersed octaethylene glycol monobenzylether 41 (0.998 g, 2.07 mmol) and pyridine (163.9 mg, 2.07 mmol) was added non-polydispersed stearoyl chloride 42 (627.7 mg, 2.07 mmol) in benzene. The reaction mixture was stirred overnight (18 hours). The next day the reaction mixture was washed with water, dried over MgSO4, concentrated and dried via vacuum. Then the crude product was chromatographed on flash silica gel column, using 10% methanol/90% chloroform. The fractions containing the product were combined, concentrated and dried via vacuum to afford the non-polydispersed title compound.

Reference： [1]Patent: US2003/228275,2003,A1 .Location in patent: Page 44

4
[ 477781-69-4 ]
[ 112-60-7 ]
[ 477775-73-8 ]

Yield	Reaction Conditions	Operation in experiment
34%		To a solution of tetrahydrofiran (140 ML) containing sodium hydride (0.43 g, 18 mmol) was added dropwise a solution of non-polydispersed tetraethylene glycol (3.5 g, 18 mmol) in tetrahydrofuran (10 ML) and the reaction mixture was stirred for 1 h.Then mesylate of non-polydispersed tetraethylene glycol monobenzylether 40 (6.0 g, 16.5 mmol) dissolved in tetrahydrofuran (10 ML) was added dropwise and the reaction mixture was stirred overnight.The crude reaction mixture was filtered through Celite (washed, CH2Cl2, 250 ML) and the filtrate was washed H2O, dried MgSO4, and evaporated to dryness.The resultant oil was chromatographed (silica, ethyl acetate/methanol, 10:1) and chromatographed (silica, chloroform/methanol, 25:1) to afford the non-polydispersed title compound as a clear oil (2.62 g, 34% yield).
34%		To a solution of tetrahydrofuran (140 ML) containing sodium hydride (0.43 g, 18 mmol) was added dropwise a solution of monodispersed tetraethylene glycol (3.5 g, 18 mmol) in tetrahydrofuran (10 ML) and the reaction mixture was stirred for 1 h.Then mesylate of monodispersed tetraethylene glycol monobenzylether 24 (6.0 g, 16.5 mmol) dissolved in tetrahydrofuran (10 ML) was added dropwise and the reaction mixture was stirred overnight.The crude reaction mixture was filtered through Celite (washed, CH2Cl2, 250 ML) and the filtrate was washed H2O, dried MgSO4, and evaporated to dryness.The resultant oil was chromatographed (silica, ethyl acetate/methanol, 10:1) and chromatographed (silica, chloroform/methanol, 25:1) to afford the monodispersed compound 25 as a clear oil (2.62 g, 34% yield).

Reference： [1]Patent: US2003/228275,2003,A1 .Location in patent: Page 44
[2]Patent: US2003/229009,2003,A1 .Location in patent: Page 40

5
[ 477781-69-4 ]
[ 86770-76-5 ]

Reference： [1]European Journal of Medicinal Chemistry,2015,vol. 102,p. 153 - 166
[2]MedChemComm,2019,vol. 10,p. 1037 - 1041

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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

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. 477781-69-4 ]

Quality Control of [ 477781-69-4 ]

Related Doc. of [ 477781-69-4 ]

Product Details of [ 477781-69-4 ]

Calculated chemistry of [ 477781-69-4 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 477781-69-4 ]

Application In Synthesis of [ 477781-69-4 ]

[ 477781-69-4 ] Synthesis Path-Upstream 1~5

[ 477781-69-4 ] Synthesis Path-Downstream 1~5

Related Functional Groups of [ 477781-69-4 ]

Aryls

Ethers

Sulfonates

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 477781-69-4 ]