[ CAS No. 2568-25-4 ] {[proInfo.proName]}

Name: 2568-25-4|Benzaldehyde Propylene Glycol Acetal|98%
Brand: Ambeed
SKU: A642754
Price: 21.0 USD
Availability: InStock
Rating: 95 (22 reviews)

,{[proInfo.pro_purity]}

Cat. No.: {[proInfo.prAm]}

DV 2D 3D

3d Animation Molecule Structure of 2568-25-4

Structure of 2568-25-4 * Storage: {[proInfo.prStorage]}

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

For Research Only 110K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 2568-25-4 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 2568-25-4 ]

SDS Specification

Alternatived Products of [ 2568-25-4 ]

Product Details of [ 2568-25-4 ]

CAS No. :	2568-25-4	MDL No. :	MFCD00059732
Formula :	C₁₀H₁₂O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	CDIKGISJRLTLRA-UHFFFAOYSA-N
M.W :	164.20	Pubchem ID :	595928
Synonyms :		Chemical Name :	Benzaldehyde Propylene Glycol Acetal

Calculated chemistry of [ 2568-25-4 ]

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.4
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	45.89
TPSA :	18.46 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.05 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.2
Log Po/w (XLOGP3) :	1.76
Log Po/w (WLOGP) :	1.8
Log Po/w (MLOGP) :	1.85
Log Po/w (SILICOS-IT) :	2.29
Consensus Log Po/w :	1.98

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.27
Solubility :	0.88 mg/ml ; 0.00536 mol/l
Class :	Soluble
Log S (Ali) :	-1.77
Solubility :	2.82 mg/ml ; 0.0172 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.62
Solubility :	0.389 mg/ml ; 0.00237 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.68

Safety of [ 2568-25-4 ]

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

Application In Synthesis of [ 2568-25-4 ]

* 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 [ 2568-25-4 ]
Downstream synthetic route of [ 2568-25-4 ]

[ 2568-25-4 ] Synthesis Path-Upstream 1~3

1
[ 2568-25-4 ]
[ 13807-91-5 ]
[ 33106-26-2 ]

Reference： [1] Gazzetta Chimica Italiana, 1991, vol. 121, # 9, p. 445 - 447
[2] Chemistry Letters, 1983, p. 1593 - 1596
[3] Gazzetta Chimica Italiana, 1991, vol. 121, # 9, p. 445 - 447

2
[ 2568-25-4 ]
[ 4799-68-2 ]
[ 13807-91-5 ]
[ 33106-26-2 ]

Reference： [1] Organic Preparations and Procedures International, 1991, vol. 23, # 4, p. 427 - 431

3
[ 2568-25-4 ]
[ 13807-91-5 ]
[ 33106-26-2 ]
[ 108-88-3 ]

Reference： [1] Bulletin des Societes Chimiques Belges, 1991, vol. 100, # 5, p. 421 - 424

[ 2568-25-4 ] Synthesis Path-Downstream 1~51

1
[ 57-55-6 ]
[ 1125-88-8 ]
[ 2568-25-4 ]

Reference： [1]Journal of the American Chemical Society,1958,vol. 80,p. 6613,6616

2
[ 57-55-6 ]
[ 100-52-7 ]
[ 2568-25-4 ]

Yield	Reaction Conditions	Operation in experiment
98%	With phosphorus modified SO4(2-)/TiO2; In cyclohexane; for 2h;Dean-Stark; Reflux;	General procedure: Aldehyde or ketone (20 mmol), diol (24 mmol), 5 mL cyclohexane, and the catalyst (20 mg) were mixed together in a three necked round bottomed flask equipped with a magnetic stirrer and a thermometer, and a Dean-Stark apparatus which was constituted with manifold and condenser to remove the water continuously from the reaction mixture. The reaction was refluxed for 2h to complete the reaction.
93.2%	With sulfonic acid-functionalized mesoporous chromium (III)terephthalate; In cyclohexane; at 80℃; for 4h;Catalytic behavior;	General procedure: The liquid-phase acetalization was conducted in a three-necked round-bottom flask connected with a reflux condenser and a thermometer. The typical procedures for acetalization were as follows: benzaldehyde (7.42 g, 70 mmol), glycol (7.81 g, 126 mmol), catalyst (0.12 g), and cyclohexane (8 mL, as a water-carrying agent) were charged successively into the flask and heated at 80 C under stirring. The reaction mixtures were sampled periodically and analyzed using a GC (GC-2014) equipped with an FID detector and a capillary column (DB-5, 30 m × 0.45 mm × 0.42 mum). After the reaction, the catalyst was separated from the reaction medium by centrifugation, washed with acetone (3-4 times) and treated at 150 C for 180 min for activation, and then reused in the next run.
87.22%	for 2h;Reflux;	Epoxidation reaction: 500 g of propionitrile and 12.5 g of phosphotungstic acid catalyst were placed in a 1 L autoclave, filled with 61.8 g of propylene (1.47 mol), the reaction was vigorously stirred at 70 C for 4 h, and the temperature was lowered, the pressure was released, and the sample was analyzed. The conversion rate of hydrogen peroxide was 99.65%, the PO yield was 91.83%, and the PG yield was 4.33%. Ketal (aldehyde) synthesis reaction: The above-mentioned pot material was distilled out of P0, the kettle was transfered to a four-necked bottle equipped with a stirring, thermometer, water separator, and reflux condenser, 3.15 g of cyclohexanone (the molar ratio of cyclohexanone to PG is 2), the reaction temperature was controlled to reflux and divert water to no moisture, after 2h of reaction, cooling, sampling and analysis, the catalyst was recovered by filtration, the filtrate was distilled to separate the solvent, raw material cyclohexanone, and the product cyclohexanone 1,2-propanediol ketal, the recovered catalyst and the recovered solvent propionitrile were applied to the epoxidation reaction. The conversion of PG was 98.48%, and the yield of cyclohexanone 1, 2-propanediol ketal was 90.11% (for PG).

79.3%	With chlorinated butyrolactam chlorozincinate supported on Fe-SBA-15; at 90℃; for 2h;	General procedure: Table II listed the acetalization of ethylene glycol withcyclohexanone over various catalysts. In these reactions,the reactive condition was as follows: the mole ratio ofethylene glycol with cyclohexanone was 2:1, the reactiontemperature was 90 °C, the reaction time was 120 minand 0.2 g of solid catalysts were added to reactor. Accordingto Table II, the increase of Fe ions could enhance thecatalytic activity from the 41.3percent cyclohexanone conversionover Fe-SBA-15(50) to 54.2percent over Fe-SBA-15(25).On the other hand, the introduction of ionic liquidenhanced greatly the catalytic activity from 54.2percent overFe-SBA-15(25) catalyst to 92.6percent over 1-IL/Fe-SBA-15(25). Further increase in the content of ionic liquid hada slight effect on the cyclohexanone conversion, probablyowing to the limitation of thermodynamic equilibrium of acetalization. As displayed in Table II, it was noted thatthe ionic liquid also enhanced the selectivity of acetal from92.4percent to 99.3percent over Fe-SBA-15(25) and 1-IL/Fe-SBA-15(25), respectively. Consideration of the consumption ofionic liquid, the 1IL/FeSBA15(25) was of the best catalyst in all catalysts. Besides these, Table II also gave thecatalytic activity of bulk ionic liquid. The reaction couldachieve to 83.6percent cyclohexanone conversion with 99.4percentselectivity to acetal over 0.1 g of bulk ionic liquid, suggesting the high catalytic activity.
53%	With copper(II) sulfate; In cyclohexane;Microwave irradiation; Reflux;	General procedure: Aldehyde (1, 0.01 mol), diol (0.15 mol) and CuSO4 (0.01 mol) were added in 50 ml cyclohexane. The reaction mixture was exposed to microwave radiation (600W) for 10-15 min with refluxing and removing water. The reaction mixture was cooled and extracted with EtOAc (3x50 ml). The organic layer was washed with water until the organic phase was colorless and dried over anhyd MgSO4. Dissolvent was evaporated by vacuum distillation. Compound 2c was crystallized with ethanol and light petroleum until the light green crystal was obtained. The other crude products were separated under reduced pressure.
96%Chromat.	With 3H(1+)O40SiW12(4-)C21H22O3PS(1+); In cyclohexane; for 1.5h;Dean-Stark; Reflux;	General procedure: The mixture of aldehyde or ketone (0.1 mol), diol (0.1 mol), cyclohexane (10 mL) and the pseudo-IL (0.05 g) was magnetically stirred in a 50-mL three-necked flask. A Dean?Stark apparatus was used to remove the water continuously from the reaction mixture. The reaction was monitored by GC analysis with small samples from reaction mixture at half-an-hour intervals. On completion, the IL was separated automatically from the reaction system by cooling, which made the catalyst recovery quite simple.

Reference： [1]RSC Advances,2018,vol. 8,p. 26180 - 26187
[2]Journal of the Chilean Chemical Society,2015,vol. 60,p. 3005 - 3008
[3]RSC Advances,2015,vol. 5,p. 91654 - 91664
[4]Asian Journal of Chemistry,2015,vol. 27,p. 1260 - 1264
[5]Journal of Molecular Catalysis A: Chemical,2014,vol. 383-384,p. 167 - 171
[6]Bulletin of the Chemical Society of Japan,2002,vol. 75,p. 2195 - 2205
[7]Patent: CN109160907,2019,A .Location in patent: Paragraph 0020; 0037; 0038; 0039
[8]Journal of Nanoscience and Nanotechnology,2019,vol. 19,p. 4396 - 4405
[9]Liebigs Annalen der Chemie,1980,p. 246 - 252
[10]Russian Journal of Organic Chemistry,2001,vol. 37,p. 136 - 140
[11]Indian Journal of Heterocyclic Chemistry,2013,vol. 23,p. 159 - 164
[12]Synthetic Communications,1998,vol. 28,p. 1233 - 1238
[13]Chemistry Letters,1983,p. 1593 - 1596
[14]Tetrahedron,1997,vol. 53,p. 2855 - 2870
[15]Tetrahedron,1997,vol. 53,p. 15889 - 15894
[16]Journal of Chemical Research,2004,p. 773 - 774
[17]Journal of Molecular Catalysis A: Chemical,2011,vol. 348,p. 77 - 82
[18]Catalysis Communications,2011,vol. 12,p. 808 - 812
[19]Kinetics and Catalysis,2012,vol. 53,p. 301 - 305
[20]Kinetics and Catalysis,2013,vol. 54,p. 724 - 729
Kinet. Katal.,2013,vol. 54,p. 724 - 729,6
[21]Patent: DE253083,
Fortschr. Teerfarbenfabr. Verw. Industriezweige,vol. 11,p. 1139
[22]Chemical Papers,2019,vol. 73,p. 1413 - 1421

3
[ 100-52-7 ]
[ 2568-25-4 ]

Reference： [1]Journal of the American Chemical Society,1933,vol. 55,p. 3741,3743

4
[ 2568-25-4 ]
[ 13807-91-5 ]
[ 33106-26-2 ]

Reference： [1]Gazzetta Chimica Italiana,1991,vol. 121,p. 445 - 447
[2]Chemistry Letters,1983,p. 1593 - 1596
[3]Gazzetta Chimica Italiana,1991,vol. 121,p. 445 - 447

5
[ 2568-25-4 ]
[ 36220-92-5 ]
[ 51591-52-7 ]
[ 7022-98-2 ]
[ 37086-84-3 ]

Reference： [1]Journal of the Chemical Society. Perkin transactions I,1981,p. 977 - 983

6
[ 2568-25-4 ]
[ 36220-92-5 ]
[ 7022-98-2 ]

Reference： [1]Journal of the Chemical Society. Perkin transactions II,1993,p. 2175 - 2182
[2]Synthetic Communications,1997,vol. 27,p. 303 - 306

7
[ 2568-25-4 ]
[ 6065-70-9 ]

Reference： [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1986,vol. 25,p. 145 - 151

9
[ 2568-25-4 ]
[ 13807-91-5 ]
[ 33106-26-2 ]
[ 108-88-3 ]

Reference： [1]Bulletin des Societes Chimiques Belges,1991,vol. 100,p. 421 - 424

10
[ 28224-73-9 ]
[ 2568-25-4 ]
[ 69-65-8 ]

Reference： [1]Carbohydrate Research,1992,vol. 229,p. 141 - 148

11
[ 100-52-7 ]
[ 75-56-9 ]
[ 2568-25-4 ]

Reference： [1]Chemistry Letters,1990,p. 2019 - 2022

12
[ 57-55-6 ]
[ 103-67-3 ]
[ 2568-25-4 ]

Reference： [1]Journal of Chemical Research, Miniprint,1995,p. 311 - 332

13
[ 2568-25-4 ]
[ 6065-71-0 ]
[ 6065-70-9 ]

Reference： [1]Synthetic Communications,1997,vol. 27,p. 303 - 306

14
[ 2568-25-4 ]
[ 4799-68-2 ]
[ 13807-91-5 ]
[ 33106-26-2 ]

Reference： [1]Organic Preparations and Procedures International,1991,vol. 23,p. 427 - 431

17
[ 2568-25-4 ]
[ 6656-60-6 ]
[ 51591-52-7 ]
[ 37086-84-3 ]

Reference： [1]Organic Letters,2001,vol. 3,p. 2387 - 2390

18
[ 2568-25-4 ]
[ 219556-66-8 ]
benzoic acid 2-azido-1-methyl-ethyl ester [ No CAS ]

Reference： [1]Synlett,2002,p. 1111 - 1112

19
[ 2568-25-4 ]
[ 6832-16-2 ]
methyl 3-phenyl-5-methyl-1,4-dioxane-2-caboxylate [ No CAS ]
methyl 3-phenyl-5-methyl-1,4-dioxane-2-caboxylate [ No CAS ]

Reference： [1]Doklady Chemistry,2002,vol. 385,p. 207 - 208

20
[ 2568-25-4 ]
[ 98-86-2 ]
3-(2-hydroxy-1-methyl-ethoxy)-1,3-diphenyl-propan-1-one [ No CAS ]

Reference： [1]Organic Letters,2004,vol. 6,p. 127 - 130

21
[ 2568-25-4 ]
[ 1006867-71-5 ]

Reference： [1]Patent: JP2005/187352,2005,A .Location in patent: Page/Page column 11-12
[2]Patent: JP2005/187352,2005,A .Location in patent: Page/Page column 11

22
[ 2568-25-4 ]
[ 199620-14-9 ]
(C₆H₅C₄H₇O₂)Cr(CO)3 [ No CAS ]

Reference： [1]Gmelin Handbuch der Anorganischen Chemie,Gmelin Handbook: Cr: Org.Verb., 1.6.1.2.1.3, page 200 - 211
[2]Patent: US3382263,1968,

23
[ 2568-25-4 ]
[ 60011-15-6 ]

Reference： [1]Angewandte Chemie - International Edition,2010,vol. 49,p. 804 - 807

24
[ 2568-25-4 ]
[ 27607-77-8 ]
[ 128733-20-0 ]
[ 128733-19-7 ]

Reference： [1]Organic and Biomolecular Chemistry,2011,vol. 9,p. 5648 - 5651

25
[ 2568-25-4 ]
[ 27607-77-8 ]
[ 122-52-1 ]
C₁₇H₃₁O₅PSi [ No CAS ]
C₁₇H₃₁O₅PSi [ No CAS ]

Reference： [1]Organic and Biomolecular Chemistry,2011,vol. 9,p. 5648 - 5651

26
[ 2568-25-4 ]
[ 79271-56-0 ]
[ 128733-21-1 ]

Reference： [1]Organic and Biomolecular Chemistry,2011,vol. 9,p. 5648 - 5651

27
[ 2568-25-4 ]
[ 79271-56-0 ]
[ 122-52-1 ]
C₂₀H₃₇O₅PSi [ No CAS ]

Reference： [1]Organic and Biomolecular Chemistry,2011,vol. 9,p. 5648 - 5651

28
[ 2568-25-4 ]
[ 4141-38-2 ]

Reference： [1]ARKIVOC,2013,vol. 2013,p. 98 - 108

29
[ 2568-25-4 ]
[ 6399-81-1 ]
[ 3020-30-2 ]
[ 100-52-7 ]

Reference： [1]ARKIVOC,2013,vol. 2013,p. 98 - 108

30
[ 2568-25-4 ]
[ 103-49-1 ]
[ 766-97-2 ]
α-[(4-methylphenyl)ethynyl]-N,N-bis(phenylmethyl)benzenemethanamine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
50%	With indium(III) chloride; In toluene;Inert atmosphere; Reflux;	General procedure: Acetal (1.2 mmol), alkyne (1.2 mmol), dibenzylamine (0.192 mL,1.0 mmol), and InCl3 (10 molpercent) were added to a flask (25 mL), followedby the addition of toluene (2.0 mL) under argon. The mixture was stirredunder reflux and monitored by TLC. The solution was then cooled to r.t.,diluted with dichloromethane (5.0 mL), washed with brine. The aqueouslayer was extracted with CH2Cl2 (3 × 10 mL), the combined organic layer was dried over MgSO4, filtered, and evaporated under vacuum. Theresidue was purified by column chromatography on silica gel (petroleumether) to afford the desired product.

Reference： [1]Journal of Chemical Research,2013,vol. 37,p. 697 - 700

31
[ 766-98-3 ]
[ 2568-25-4 ]
[ 103-49-1 ]
N,N-dibenzyl-3-(4-flurophenyl)-1-phenylprop-2-yn-1-amine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
47%	With indium(III) chloride; In toluene;Inert atmosphere; Reflux;	General procedure: Acetal (1.2 mmol), alkyne (1.2 mmol), dibenzylamine (0.192 mL,1.0 mmol), and InCl3 (10 molpercent) were added to a flask (25 mL), followedby the addition of toluene (2.0 mL) under argon. The mixture was stirredunder reflux and monitored by TLC. The solution was then cooled to r.t.,diluted with dichloromethane (5.0 mL), washed with brine. The aqueouslayer was extracted with CH2Cl2 (3 × 10 mL), the combined organic layer was dried over MgSO4, filtered, and evaporated under vacuum. Theresidue was purified by column chromatography on silica gel (petroleumether) to afford the desired product.

Reference： [1]Journal of Chemical Research,2013,vol. 37,p. 697 - 700

32
[ 2568-25-4 ]
[ 536-74-3 ]
[ 103-49-1 ]
dibenzyl-(1,3-diphenyl-2-propynyl)amine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
46%	With indium(III) chloride; In toluene;Inert atmosphere; Reflux;	General procedure: Acetal (1.2 mmol), alkyne (1.2 mmol), dibenzylamine (0.192 mL,1.0 mmol), and InCl3 (10 molpercent) were added to a flask (25 mL), followedby the addition of toluene (2.0 mL) under argon. The mixture was stirredunder reflux and monitored by TLC. The solution was then cooled to r.t.,diluted with dichloromethane (5.0 mL), washed with brine. The aqueouslayer was extracted with CH2Cl2 (3 × 10 mL), the combined organic layer was dried over MgSO4, filtered, and evaporated under vacuum. Theresidue was purified by column chromatography on silica gel (petroleumether) to afford the desired product.

Reference： [1]Journal of Chemical Research,2013,vol. 37,p. 697 - 700

33
[ 2568-25-4 ]
[ 536-74-3 ]
[ 62-53-3 ]
[ 1039-51-6 ]

Reference： [1]Journal of Chemical Research,2013,vol. 37,p. 677 - 680

34
[ 2568-25-4 ]
[ 7677-24-9 ]
[ 62-53-3 ]
[ 4553-59-7 ]

Yield	Reaction Conditions	Operation in experiment
76%	With hafnium tetrachloride; In acetonitrile; at 20℃; for 0.5h;Inert atmosphere;	General procedure: Acetal (1.2 mmol), aromatic amine (1.0 mmol), TMSCN (0.165 mL,1.3 mmol), and HfCl4 (0.064 g, 0.2 mol) were added to a flask (25 mL),followed by addition of acetonitrile (4.0 mL) under argon. The mixturewas stirred at room temperature and monitored by TLC. The solutionwas then diluted with dichloromethane (5.0 mL), washed with brine.The aqueous layer was extracted with CH2Cl2 (3 × 10 mL), the combinedorganic layer was dried over MgSO4, filtered, and evaporated undervacuum. The residue was purified by column chromatography on silicagel (petroleum ether) to afford the desired product.2-Phenyl-2-(phenylamino)acetonitrile: White solid, m.p. 76?77 °C(lit.20 76?78 °C); yield 91percent (Table 3, entry 1), 76percent (Table 3, entry 8) and75percent (Table 3, entry 12); 1H NMR (400 MHz, CDCl3) delta 7.53 (dd, J = 7.5,1.9 Hz, 2H), 7.44?7.36 (m, 3H), 7.24?7.18 (m, 2H), 6.83 (t, J = 7.4 Hz, 1H),6.71 (d, J = 8.2 Hz, 2H), 5.36 (s, 1H), 3.96 (s, 1H).

Reference： [1]Journal of Chemical Research,2013,vol. 37,p. 690 - 693

35
[ 2568-25-4 ]
[ 62-53-3 ]
[ 758640-21-0 ]

Yield	Reaction Conditions	Operation in experiment
74%	With triethylsilane; iodine; In acetonitrile; at 20℃; for 11h;Inert atmosphere;	General procedure: Acetal (1.2 mmol), amine (1.0 mmol), triethylsilane (0.319 mL, 2.0 mmol) and I2 (0.025 g, 0.1 mmol) were added to a flask (25 mL), followed by addition of acetonitrile (4.0 mL) under argon. The mixture was stirred at room temperature and monitored by TLC. The solution was then diluted with dichloromethane (5 mL), washed with brine. The aqueous layers was extracted with CH2Cl2 (3 × 10 mL), the combined organic layers were dried over MgSO4, filtered, and evaporated under reduced pressure. The residue was purified by column chromatography on silica gel (petroleum ether) to afford the desired product.

Reference： [1]Journal of Chemical Research,2014,vol. 38,p. 261 - 264

36
[ 2568-25-4 ]
[ 100-52-7 ]

Yield	Reaction Conditions	Operation in experiment
	With methyl and sulfonic acid bifunctionalized silica nanoparticle; In water; toluene; at 60℃; for 1.5h;	General procedure: The hydrolysis reaction of acetal derivatives was performed ina 10 mL of round bottom flask. A typical reaction process was asfollows: 45 mg of SiO2Me&SO3H NPs (6.3 mol of SO3H groups)was put into the reactor, 3.0 mL of toluene and 3.0 mL of deion-ized water were added as solvent. After stirring for 5 min, 1 mmolof benzaldehyde dimethyl acetal was added into above mixture bysyringe. The hydrolysis reaction was carried out at 30C for 45 min.After the reaction, the product was obtained through centrifuga-tion and then the supernatant was determined by Agilent 7890AGC. Then the catalyst was recovered and washed several timeswith deionized water and ethyl acetate, dried at 50C for 2 h, andsubsequently used in the next cycles.

Reference： [1]Journal of the American Chemical Society,2015,vol. 137,p. 1362 - 1371
[2]Applied Catalysis A: General,2016,vol. 513,p. 47 - 52

37
[ 2568-25-4 ]
[ 100-51-6 ]

Reference： [1]Journal of the American Chemical Society,2015,vol. 137,p. 1362 - 1371

38
[ 2568-25-4 ]
[ 758640-21-0 ]
[ 100-51-6 ]

Reference： [1]Journal of the American Chemical Society,2015,vol. 137,p. 1362 - 1371

39
[ 2568-25-4 ]
[ 2700-22-3 ]

Reference： [1]Journal of the American Chemical Society,2015,vol. 137,p. 1362 - 1371

40
[ 2568-25-4 ]
[ 102-96-5 ]
[ 117538-84-8 ]

Reference： [1]Journal of the American Chemical Society,2015,vol. 137,p. 1362 - 1371

41
[ 120-72-9 ]
[ 2568-25-4 ]
[ 35173-74-1 ]

Reference： [1]Chemical Communications,2016,vol. 52,p. 12702 - 12705

42
[ 100-52-7 ]
[ 122-51-0 ]
[ 2568-25-4 ]

Reference： [1]Organic Letters,2016,vol. 18,p. 5604 - 5607

43
[ 67-56-1 ]
[ 2568-25-4 ]
2-methoxy-2-phenyl-4-methyl-1,3-dioxolane [ No CAS ]

Reference： [1]Chemistry - A European Journal,2017,vol. 23,p. 10974 - 10977

44
[ 2568-25-4 ]
[ 2170-06-1 ]
C₂₁H₂₆O₂Si [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2017,vol. 82,p. 9916 - 9922

45
[ 2568-25-4 ]
2-((1,3-diphenylprop-2-yn-1-yl)oxy)propan-1-ol [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2017,vol. 82,p. 9916 - 9922

46
[ 2568-25-4 ]
2-((1,3-diphenylprop-2-yn-1-yl)oxy)propyl benzoate [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2017,vol. 82,p. 9916 - 9922

47
[ 2568-25-4 ]
[ 128796-45-2 ]
C₁₇H₁₇F₃O₂ [ No CAS ]

Reference： [1]Nature Chemistry,2017,vol. 9,p. 779 - 784

48
[ 2568-25-4 ]
[ 105-34-0 ]
[ 3695-84-9 ]

Reference： [1]Chemical Communications,2018,vol. 54,p. 13014 - 13017

49
[ 2568-25-4 ]
[ 67-66-3 ]
C₁₁H₁₂Cl₂O₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
45%	With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide; In water; at 0℃;Green chemistry;	General procedure: 50percent NaOH aq was added to a mixture of 0.1 mol 2, 40 mL CHCl3 and 0.5g TEBA with vigorously stirring for 24-60h at 0 °C. 100mL water and 100 mL diethyl ether were added into the mixture. Then the reaction mixture was extracted with diethyl ether five times, washed with water until the organic phase pH=7, and dried over anhyd MgSO4. Then the diethyl ether was removed by distillation. Compounds 3a-e were purified on silica gel by column chromatography [V(EtOAc):V(light petroleum)= 1:30].

Reference： [1]Indian Journal of Heterocyclic Chemistry,2013,vol. 23,p. 159 - 164

50
[ 2568-25-4 ]
[ 122405-06-5 ]
2-[(4-methyl-1-phenyldecyl)oxy]-1-propanol [ No CAS ]
C₂₀H₃₄O₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In hexane; n-heptane; at -20 - 20℃; for 2h;Inert atmosphere;	General procedure: A 20-mmol portion of dioxolane selected from compounds 2a-2c was added dropwise to a solution of 40 mmol of 3-hexyl-1-ethylaluminacyclopentane (1) in 10 mL of anhydrous heptane at -20C in a dry argon atmosphere. The temperature was increased to the required value, and the reaction mixture was stirred for 2 or 6 h, after which it was cooled to -20C and decomposed with 20 mL of 10% HCl. The organic phase was separated, dried over MgSO4, and analyzed by GLC. The products were isolated by vacuum distillation. Hydroxyethers (3a-3c) were identified in the form of a mixture of regioisomers (3) and (4). Compound 5b was identified in the individual form, and monoethers 5a and 5c were identified using GLC by matching with authentic samples [6].

Reference： [1]Petroleum Chemistry,2019,vol. 59,p. 650 - 655
Neftekhimiya,

51
[ 2568-25-4 ]
1-ethyl-3-naphthylaluminacyclopentane [ No CAS ]
C₁₂H₁₈O₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In dichloromethane; at 0 - 20℃; for 6h;Inert atmosphere;	General procedure: Any of dioxolanes 2a-2c in an amount of 20 mmol was added dropwise to a solution of 40 mmol of 1-ethyl-3-naphthylaluminacyclopentane (6) in 10 mL of dry CH2Cl2 at 0C in a dry argon atmosphere. The temperature of the reaction mixture was increased to 20C, and the mixture was stirred for 6 h, after which it was cooled to -20C and decomposed with 20 mL of a 10% HCl aqueous solution. The organic phase was separated, dried over MgSO4, and analyzed by GLC. Product 5b was isolated by vacuum distillation; this hydroxyether was identified in the individual form. Monoethers 5a and 5c were identified using GLC by matching with authentic samples [6].

Reference： [1]Petroleum Chemistry,2019,vol. 59,p. 650 - 655
Neftekhimiya,

Same Skeleton Products

Related Products

Historical Records

Related Functional Groups of
[ 2568-25-4 ]

Aryls

[ 4141-19-9 ]

cis-2-Phenyl-1,3-dioxan-5-ol

Similarity: 0.90

[ 1125-88-8 ]

Benzaldehyde dimethyl acetal

Similarity: 0.82

[ 1663-61-2 ]

(Triethoxymethyl)benzene

Similarity: 0.81

[ 127657-97-0 ]

Benzyloxyacetaldehyde dimethyl acetal

Similarity: 0.80

[ 2425-41-4 ]

(2-Phenyl-1,3-dioxane-5,5-diyl)dimethanol

Similarity: 0.79

Related Parent Nucleus of
[ 2568-25-4 ]

Dioxolanes

[ 61683-99-6 ]

5-(4-Methyl-1,3-dioxolan-2-yl)benzo[d][1,3]dioxole

Similarity: 0.80

[ 17789-14-9 ]

2-(3-Bromophenyl)-1,3-dioxolane

Similarity: 0.72

[ 34824-58-3 ]

2-(2-Bromophenyl)-1,3-dioxolane

Similarity: 0.72

[ 51656-91-8 ]

Ethyl 2-(1,4-dioxaspiro[4.5]decan-8-ylidene)acetate

Similarity: 0.56

[ 1607-37-0 ]

4-[(2,3-Epoxypropoxy)methyl]-2,2-dimethyl-1,3-dioxolane

Similarity: 0.54

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.
P202	Do not handle until all safety precautions have been read and understood.
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.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
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

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]}	{[ getRatePrice(item.pr_usd, 1,1) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]}	{[ item.pr_usastock ]}	Inquiry -	{[ item.pr_chinastock ]}	Inquiry -

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. 2568-25-4 ] {[proInfo.proName]}

Quality Control of [ 2568-25-4 ]

Related Doc. of [ 2568-25-4 ]

Product Details of [ 2568-25-4 ]

Calculated chemistry of [ 2568-25-4 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 2568-25-4 ]

Application In Synthesis of [ 2568-25-4 ]

[ 2568-25-4 ] Synthesis Path-Upstream 1~3

[ 2568-25-4 ] Synthesis Path-Downstream 1~51

Related Functional Groups of [ 2568-25-4 ]

Aryls

Related Parent Nucleus of [ 2568-25-4 ]

Dioxolanes

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 2568-25-4 ]

Related Parent Nucleus of
[ 2568-25-4 ]