[ CAS No. 32136-81-5 ]

Name: 32136-81-5|1-(4-Hydroxyphenyl)-2-methoxyethanone|98%
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SKU: A202334
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Quality Control of [ 32136-81-5 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 32136-81-5 ]

Product Details of [ 32136-81-5 ]

CAS No. :	32136-81-5	MDL No. :	MFCD08461683
Formula :	C₉H₁₀O₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	HUXGFSJRCMJOAK-UHFFFAOYSA-N
M.W :	166.17 g/mol	Pubchem ID :	3015614
Synonyms :

Calculated chemistry of [ 32136-81-5 ]

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.22
Num. rotatable bonds :	3
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	44.55
TPSA :	46.53 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.29 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.66
Log Po/w (XLOGP3) :	1.44
Log Po/w (WLOGP) :	1.22
Log Po/w (MLOGP) :	0.56
Log Po/w (SILICOS-IT) :	1.55
Consensus Log Po/w :	1.29

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.95
Solubility :	1.87 mg/ml ; 0.0112 mol/l
Class :	Very soluble
Log S (Ali) :	-2.02
Solubility :	1.58 mg/ml ; 0.00949 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.29
Solubility :	0.842 mg/ml ; 0.00507 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.19

Safety of [ 32136-81-5 ]

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 [ 32136-81-5 ]

* 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 [ 32136-81-5 ]
Downstream synthetic route of [ 32136-81-5 ]

[ 32136-81-5 ] Synthesis Path-Upstream 1~15

1
[ 2491-38-5 ]
[ 124-41-4 ]
[ 32136-81-5 ]

Reference： [1] Journal of Medicinal Chemistry, 1988, vol. 31, # 1, p. 55 - 59
[2] Chemical Communications, 2015, vol. 51, # 34, p. 7349 - 7351
[3] Bioorganic and Medicinal Chemistry Letters, 2004, vol. 14, # 1, p. 191 - 194
[4] Patent: WO2004/52816, 2004, A1, . Location in patent: Page 38
[5] Patent: WO2004/113273, 2004, A1, . Location in patent: Page 37

2
[ 2491-38-5 ]
[ 32136-81-5 ]

Yield	Reaction Conditions	Operation in experiment
85%	With sodium hydroxide In methanol	EXAMPLE 3 Preparation of alpha-methoxy-4-hydroxyacetophenone 2 g of alpha-bromo-4-hydroxyacetophenone are dissolved in 11 g of methanol. 30 g of a saturated solution of sodium hydroxide in methanol (1 g NaOH/ 4.2 ml methanol) is added dropwise to the alpha-bromo-4-hydroxyacetophenone solution. After the addition is complete, the solution is added to 30 g of ice and acidified to pH 6. Alpha-methoxy-4-hydroxyacetophenone precipitates out and is filtered and dried to a greenish yellow product in about 85percent yield; the product is determined by 1-H-NMR to be substantially pure.

Reference： [1] Patent: US5107034, 1992, A,

3
[ 2491-38-5 ]
[ 7440-44-0 ]
[ 32136-81-5 ]

Reference： [1] Patent: US5107034, 1992, A,

4
[ 67-56-1 ]
[ 99-93-4 ]
[ 32136-81-5 ]

Reference： [1] European Journal of Organic Chemistry, 2016, vol. 2016, # 31, p. 5257 - 5262

5
[ 6305-04-0 ]
[ 124-41-4 ]
[ 32136-81-5 ]

Reference： [1] Synthetic Communications, 1990, vol. 20, # 22, p. 3489 - 3496
[2] Patent: CN107382683, 2017, A, . Location in patent: Paragraph 0012; 0013; 0014

6
[ 67-56-1 ]
[ 123564-56-7 ]
[ 32136-81-5 ]

Reference： [1] Journal fur Praktische Chemie - Chemiker - Zeitung, 1996, vol. 338, # 8, p. 706 - 710

7
[ 120186-59-6 ]
[ 32136-81-5 ]

Reference： [1] Journal fur Praktische Chemie - Chemiker - Zeitung, 1996, vol. 338, # 8, p. 706 - 710

8
[ 99-93-4 ]
[ 32136-81-5 ]

Reference： [1] Bioorganic and Medicinal Chemistry Letters, 2004, vol. 14, # 1, p. 191 - 194
[2] Helvetica Chimica Acta, 1994, vol. 77, p. 1595 - 1610

9
[ 108-95-2 ]
[ 32136-81-5 ]

Reference： [1] Synthetic Communications, 1990, vol. 20, # 22, p. 3489 - 3496
[2] Patent: CN107382683, 2017, A,

10
[ 13031-43-1 ]
[ 32136-81-5 ]

Reference： [1] Helvetica Chimica Acta, 1994, vol. 77, p. 1595 - 1610

11
[ 5703-26-4 ]
[ 32136-81-5 ]

Reference： [1] Journal fur Praktische Chemie - Chemiker - Zeitung, 1996, vol. 338, # 8, p. 706 - 710

12
[ 23786-14-3 ]
[ 32136-81-5 ]

Reference： [1] Journal fur Praktische Chemie - Chemiker - Zeitung, 1996, vol. 338, # 8, p. 706 - 710

13
[ 184376-10-1 ]
[ 32136-81-5 ]

Reference： [1] Journal fur Praktische Chemie - Chemiker - Zeitung, 1996, vol. 338, # 8, p. 706 - 710

14
[ 3240-34-4 ]
[ 86941-88-0 ]
[ 32136-81-5 ]

Reference： [1] Helvetica Chimica Acta, 1994, vol. 77, p. 1595 - 1610

15
[ 2345-34-8 ]
[ 32136-81-5 ]

Reference： [1] Journal of the Chemical Society, 1926, p. 1715

[ 32136-81-5 ] Synthesis Path-Downstream 1~47

1
[ 2491-38-5 ]
[ 124-41-4 ]
[ 32136-81-5 ]

Yield	Reaction Conditions	Operation in experiment
		P10.1 1.8 g of 2-BROMO-1- (4-HYDROXY-PHENYL)-ETHANONE in 10 ml of methanol are added dropwise to 16 ml of 5.4M sodium methoxide in methanol and 50 ml of methanol, and stirring is carried out for 30 minutes at 60C. The reaction mixture is concentrated and the residue is taken up in water and adjusted to pH 1 with concentrated hydrochloric acid. Extraction with ethyl acetate is then carried out, the organic phase is concentrated and the crude product is purified over silica gel. 1- (4-HYDROXY-PHENYL)-2-METHOXY-ETHANONE is OBTAINED.'H-NMR (CDCI3) 300MHZ : 3.50 (s, 3H), 4.68 (s, 2H), 6.23 (s, 1 H), 6.91 (d, 2H), 7.90 (d, 2H).
	In methanol; at 60.0℃; for 0.916667h;	3.0 g OF 2-BROMO-1- (4-HYDROXY-PHENYL)-ETHANONE in 25 ML of methanol are added dropwise in the course of 10 minutes to a solution of 7.5 g of sodium METHANOLATE in 80 ml of methanol. Stirring is then carried out at 60C for 45 minutes. The reaction mixture is cooled, poured into dilute hydrochloric acid and extracted with ethyl acetate. After concentration of the organic phases and crystallisation from diethyl ether, 1- (4-HYDROXY-PHENYL)-2-METHOXY- ethanone is OBTAINED. 1H-NMR (CDCI3) 300MHZ : 3.50 (s, 3H), 4.70 (s, 2H), 6.62 (s, 1H), 6.91 (d, 2H), 7.89 (d, 2H)

Reference： [1]Journal of Medicinal Chemistry,1988,vol. 31,p. 55 - 59
[2]Chemical Communications,2015,vol. 51,p. 7349 - 7351
[3]Bioorganic and Medicinal Chemistry Letters,2004,vol. 14,p. 191 - 194
[4]Patent: WO2004/52816,2004,A1 .Location in patent: Page 38
[5]Patent: WO2004/113273,2004,A1 .Location in patent: Page 37

2
[ 3240-34-4 ]
[ 86941-88-0 ]
[ 32136-81-5 ]

Reference： [1]Helvetica Chimica Acta,1994,vol. 77,p. 1595 - 1610

3
[ 6305-04-0 ]
[ 124-41-4 ]
[ 32136-81-5 ]

Yield	Reaction Conditions	Operation in experiment
18.3 g	In methanol;pH 8.0;	The reaction 4-chloroacetyl phenol generated in the step 1 was dissolved in methanol, sodium methoxide was added, pH 8 was adjusted, agitation was started with a stirring device to generate 18.3 g of 4-(2'-methoxyacetyl)benzoic acid.

Reference： [1]Synthetic Communications,1990,vol. 20,p. 3489 - 3496
[2]Patent: CN107382683,2017,A .Location in patent: Paragraph 0012; 0013; 0014

4
[ 487-70-7 ]
[ 32136-81-5 ]
[ 13544-50-8 ]

Reference： [1]Helvetica Chimica Acta,1994,vol. 77,p. 1595 - 1610

5
[ 32136-81-5 ]
[ 23737-51-1 ]
[ 110458-42-9 ]

Reference： [1]Journal of Medicinal Chemistry,1988,vol. 31,p. 55 - 59

6
[ 32136-81-5 ]
[ 56718-71-9 ]

Yield	Reaction Conditions	Operation in experiment
80%	With hydrogen; under 3000.3 Torr;Heating;	steps 2 taken to generate the reaction of 4-(2'-methoxyacetyl) phenol) was added to the reaction vessel, 5g of Raney nickel catalyst, introducing hydrogen as a reducing agent, open stirring, heating, the hydrogen pressure is controlled 0.4 MPa, reaction of intermediate 4-(2'-methoxyethyl)phenol.
0.54 g (3.6 mmol=61%)	With H2; acetic acid;palladium-carbon;	EXAMPLE 5 Hydrogenation of <strong>[32136-81-5]alpha-methoxy-4-hydroxyacetophenone</strong>: A 300 ml Fluitron autoclave (Hastelloy C) is charged with 1 g <strong>[32136-81-5]alpha-methoxy-4-hydroxyacetophenone</strong> (95.9%, 5.8 mmol), 80 ml acetic acid and 0.3 g Pd/C (5% Pd on carbon; 47.8% H2 O). After sealing, the stirrer is started, and the autoclave purged with nitrogen and hydrogen and finally pressurized to 250 psig H2. After reaching the reaction temperature of 80 C., the H2 pressure is kept constant at 300 psig over the 2 hour reaction period. The autoclave is vented and purged with N2. The reaction mixture is removed from the reactor, filtered and finally analyzed by GC, using independently made 4-(2'-methoxyethyl)phenol as an external standard. Yield: 0.54 g (3.6 mmol=61%) 4-(2'-methoxyethyl)phenol, 0.23 g (1.5 mmol=25%) 4-(2'-methoxyethyl)cyclohexanol (estimation, using the GC response factor of 4-(2'-methoxyethyl)phenol)

Reference： [1]Synthetic Communications,1990,vol. 20,p. 3489 - 3496
[2]Patent: CN107382683,2017,A .Location in patent: Paragraph 0012; 0013; 0014
[3]Bioorganic and Medicinal Chemistry Letters,2004,vol. 14,p. 191 - 194
[4]Patent: US5107034,1992,A

7
[ 32136-81-5 ]
[ 95-01-2 ]
4',7-dihydroxy-3-methoxyflavylium chloride [ No CAS ]

Reference： [1]Helvetica Chimica Acta,1994,vol. 77,p. 1595 - 1610

8
[ 67-56-1 ]
[ 123564-56-7 ]
[ 32136-81-5 ]

Reference： [1]Journal fur Praktische Chemie - Chemiker-Zeitung,1996,vol. 338,p. 706 - 710

9
1-(4-(benzyloxy)phenyl)-2-methoxyethan-1-one [ No CAS ]
[ 32136-81-5 ]

Reference： [1]Journal fur Praktische Chemie - Chemiker-Zeitung,1996,vol. 338,p. 706 - 710

10
[ 27914-73-4 ]
sodium compound of α,γ-dimethoxy-acetoacetic acid ethyl ester [ No CAS ]
[ 32136-81-5 ]

Reference： [1]Journal of the Chemical Society,1926,p. 1715

11
[ 32136-81-5 ]
[ 56718-70-8 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2004,vol. 14,p. 191 - 194
[2]Synthetic Communications,1990,vol. 20,p. 3489 - 3496

12
[ 32136-81-5 ]
[ 56718-76-4 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2004,vol. 14,p. 191 - 194

13
[ 32136-81-5 ]
(R)-2-{(R)-2-Hydroxy-3-[4-(2-methoxy-ethyl)-phenoxy]-propylamino}-butan-1-ol [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2004,vol. 14,p. 191 - 194

14
[ 32136-81-5 ]
(2S)-2-[[(2R)-2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]-1-butanol [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2004,vol. 14,p. 191 - 194

15
[ 32136-81-5 ]
(R)-2-{(S)-2-Hydroxy-3-[4-(2-methoxy-ethyl)-phenoxy]-propylamino}-butan-1-ol [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2004,vol. 14,p. 191 - 194

16
[ 32136-81-5 ]
(2S)-2-[[(2S)-2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]-1-butanol [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2004,vol. 14,p. 191 - 194

17
[ 99-93-4 ]
[ 32136-81-5 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2004,vol. 14,p. 191 - 194
[2]Helvetica Chimica Acta,1994,vol. 77,p. 1595 - 1610

18
[ 5703-26-4 ]
[ 32136-81-5 ]

Reference： [1]Journal fur Praktische Chemie - Chemiker-Zeitung,1996,vol. 338,p. 706 - 710

19
[ 23786-14-3 ]
[ 32136-81-5 ]

Reference： [1]Journal fur Praktische Chemie - Chemiker-Zeitung,1996,vol. 338,p. 706 - 710

20
[ 184376-10-1 ]
[ 32136-81-5 ]

Reference： [1]Journal fur Praktische Chemie - Chemiker-Zeitung,1996,vol. 338,p. 706 - 710

21
[ 120186-59-6 ]
[ 32136-81-5 ]

Reference： [1]Journal fur Praktische Chemie - Chemiker-Zeitung,1996,vol. 338,p. 706 - 710

22
[ 13031-43-1 ]
[ 32136-81-5 ]

Reference： [1]Helvetica Chimica Acta,1994,vol. 77,p. 1595 - 1610

23
[ 32136-81-5 ]
2-(4-hydroxyphenyl)-2,3-dimethoxy-2H-1-benzopyran-7-ol [ No CAS ]

Reference： [1]Helvetica Chimica Acta,1994,vol. 77,p. 1595 - 1610

24
[ 32136-81-5 ]
[ 110458-44-1 ]

Reference： [1]Journal of Medicinal Chemistry,1988,vol. 31,p. 55 - 59

25
[ 32136-81-5 ]
[ 110458-43-0 ]

Reference： [1]Journal of Medicinal Chemistry,1988,vol. 31,p. 55 - 59

26
[ 32136-81-5 ]
[ 110458-45-2 ]

Reference： [1]Journal of Medicinal Chemistry,1988,vol. 31,p. 55 - 59

27
[ 32136-81-5 ]
3-(2-propyl)-5-<<4-(1-hydroxy-2-methyloxyethyl)phenoxy>methyl>-2-oxazolidone [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1988,vol. 31,p. 55 - 59
[2]Journal of Medicinal Chemistry,1988,vol. 31,p. 55 - 59

28
[ 32136-81-5 ]
Imidazole-1-carboxylic acid 1-[4-(3-isopropyl-2-oxo-oxazolidin-5-ylmethoxy)-phenyl]-2-methoxy-ethyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1988,vol. 31,p. 55 - 59

29
[ 32136-81-5 ]
[ 56392-16-6 ]

Reference： [1]Journal of Medicinal Chemistry,1988,vol. 31,p. 55 - 59

30
[ 32136-81-5 ]
(1'S)-3-<4-(1-hydroxy-2-methyloxyethyl)phenoxy>-1-(isopropylamino)-2-propanol [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1988,vol. 31,p. 55 - 59

31
[ 32136-81-5 ]
(1'R)-3-<4-(1-hydroxy-2-methyloxyethyl)phenoxy>-1-(isopropylamino)-2-propanol [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1988,vol. 31,p. 55 - 59

32
[ 32136-81-5 ]
(S)-3,3,3-Trifluoro-2-methoxy-2-phenyl-propionic acid (S)-1-[4-(3-isopropyl-2-oxo-oxazolidin-5-ylmethoxy)-phenyl]-2-methoxy-ethyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1988,vol. 31,p. 55 - 59
[2]Journal of Medicinal Chemistry,1988,vol. 31,p. 55 - 59

33
[ 32136-81-5 ]
(S)-3,3,3-Trifluoro-2-methoxy-2-phenyl-propionic acid (R)-1-[4-(3-isopropyl-2-oxo-oxazolidin-5-ylmethoxy)-phenyl]-2-methoxy-ethyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1988,vol. 31,p. 55 - 59
[2]Journal of Medicinal Chemistry,1988,vol. 31,p. 55 - 59

34
[ 32136-81-5 ]
[ 80448-05-1 ]

Reference： [1]Synthetic Communications,1990,vol. 20,p. 3489 - 3496

35
[ 32136-81-5 ]
[ 62572-90-1 ]

Reference： [1]Synthetic Communications,1990,vol. 20,p. 3489 - 3496

36
[ 32136-81-5 ]
[ 74254-83-4 ]

Reference： [1]Synthetic Communications,1990,vol. 20,p. 3489 - 3496

37
[ 108-95-2 ]
[ 32136-81-5 ]

Reference： [1]Synthetic Communications,1990,vol. 20,p. 3489 - 3496
[2]Patent: CN107382683,2017,A

38
[ 2345-34-8 ]
[ 32136-81-5 ]

Reference： [1]Journal of the Chemical Society,1926,p. 1715

39
[ 669055-91-8 ]
[ 32136-81-5 ]
[ 711013-06-8 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; In DMF (N,N-dimethyl-formamide); at 50.0℃; for 20.0h;	P10. 2 2.76 g of methanesulfonic acid 3- [2, 6-DICHLORO-4- (3, 3-DICHLORO-ALLYLOXY)- phenoxy]-propyl ester, 1.19 g of 1- (4-HYDROXY-PHENYL)-2-METHOXY-ETHANONE and 2.7 g of potassium carbonate are stirred for 20 hours at 50C in 90 ml of dimethylformamide. The reaction mixture is poured into water and extracted with ethyl acetate. Concentration of the organic phase and purification over silica gel yield 1- (4- {3- [2, 6-dichloro-4- (3, 3-dichloro- ALLYLOXY)-PHENOXY]-PROPOXY}-PHENYL)-2-METHOXY-ETHANONE.'H-NMR (CDCI3) 300MHZ : 2.31 (m, 2H), 3.50 (s, 3H), 4.17 (t, 2H), 4.37 (t, 2H), 4.58 (d, 2H), 4.66 (s, 2H), 6.10 (t, LH), 6.82 (s, 2H), 6.98 (d, 2H), 7.93 (d, 2H).
	With potassium carbonate; In DMF (N,N-dimethyl-formamide); at 50.0℃; for 17.0h;	1. 8 g of METHANESULFONIC acid 3- [2, 6-DICHLORO-4- (3, 3-DICHLORO-ALLYLOXY)-PHENOXY]- propyl ester, 1.8 g of potassium carbonate and 1.97 g of 1- (4-HYDROXY-PHENYL)-2-METHOXY- ethanone are stirred in 30 ml of dimethylformamide at 50C for 17 hours. The reaction mix- ture is poured into water and extracted with ethyl acetate. After concentration of the organic phases and purification OVER SILICA GEL, 1- (4- {3- [2, 6-DICHLORO-4- (3, 3-DICHLORO-ALLYLOXY)-PHEN- OXY]-PROPOXY}-PHENYL)-2-METHOXY-ETHANONE is obtained.

Reference： [1]Patent: WO2004/52816,2004,A1 .Location in patent: Page 38
[2]Patent: WO2004/113273,2004,A1 .Location in patent: Page 38; 55

40
[ 32136-81-5 ]
[ 126997-07-7 ]
3,3-Diethyl-4-(RS)-[4-(1-(oxo)-2-(methoxy)ethyl)phenoxy]azetidin-2-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
2.49 gm (71%)	With potassium carbonate; In water; acetone;	Step A 3,3-Diethyl-4-(RS)-[4-(1-(oxo)-2-(methoxy)ethyl)phenoxy]azetidin-2-one To a solution of 2.00 gm (12 mmol) of 4-hydroxy-alpha-methoxyacetophenone (prepared according to Shetty, H. U.; Nelson, W. L. J. Med. Chem. 1988, 31, 55-58) and 3.34 gm (18 mmol) of 3,3-diethyl-4-acetoxyazetidin-2-one (see EPO 337 549) in 34 mL of acetone was added a solution of 2.50 gm (18 mmol) of potassium carbonate in 10 mL of water. After one hr, 50 mL of water was added and the mixture extracted with 4*60 mL of ether. The organic extracts were dried over sodium sulfate, filtered and concentrated in vacuo. The residue was purified by flash chromatography on 166 gm of silica eluding with 2.5 L of 60:40 hexanes: ethyl acetate then 2.5 L of 50:50 hexanes: ethyl acetate to provide 2.49 gm (71%) of an oil which was homogeneous by TLC (60:40 hexanes: ethyl acetate) and mixed fractions weighing 1.24 gm. NMR (CDCl3; delta from TMS): 1.14 (t, 6H), 1.8-2.2 (m, 4H), 3.58 (s, 3H), 4.75 (s, 2H), 5.55 (s, 1H), 6.60 (br s, 1H), 7.00 (app d, 2H), 8.04 (app d, 2H).

Reference： [1]Patent: US5952321,1999,A

41
[ 2491-38-5 ]
[ 7440-44-0 ]
[ 32136-81-5 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium methylate; In methanol; nitrogen; water; ethyl acetate;	EXAMPLE 4 Preparation of alpha-methoxy-4-hydroxyacetophenone In a nitrogen purged glove bag, 35.06 g (95%; 155 mmol) alpha-bromo-4-hydroxyacetophenone, dissolved in 350 ml methanol, are slowly added to a stirred solution of 69.9 g (91.29 mol) sodium methoxide in 660 ml methanol. About 40 minutes after the addition is complete, a solid (NaBr) precipitates out. After 2 hrs, the dark orange mixture is stripped of solvent. The yellow-orange residue is dissolved in 750 ml water. Once the pH is adjusted to 6, the aqueous solution is extracted by 3*250 ml ethyl acetate; the organic phase is dried over MgSO4 and the solvent is removed by roto-evaporation. The solid is then recrystallized from 180 ml boiling toluene (1.4 g carbon added) to give a light yellow material identified as alpha-methoxy-4-hydroxyacetophenone by GC, 1 H and 13 C NMR.

Reference： [1]Patent: US5107034,1992,A

42
[ 2491-38-5 ]
[ 32136-81-5 ]

Yield	Reaction Conditions	Operation in experiment
85%	With sodium hydroxide; In methanol;	EXAMPLE 3 Preparation of alpha-methoxy-4-hydroxyacetophenone 2 g of alpha-bromo-4-hydroxyacetophenone are dissolved in 11 g of methanol. 30 g of a saturated solution of sodium hydroxide in methanol (1 g NaOH/ 4.2 ml methanol) is added dropwise to the alpha-bromo-4-hydroxyacetophenone solution. After the addition is complete, the solution is added to 30 g of ice and acidified to pH 6. Alpha-methoxy-4-hydroxyacetophenone precipitates out and is filtered and dried to a greenish yellow product in about 85% yield; the product is determined by 1-H-NMR to be substantially pure.

Reference： [1]Patent: US5107034,1992,A

43
[ 32136-81-5 ]
[ 95-01-2 ]
4’,7-dihydroxy-3-methoxyflavylium perchlorate [ No CAS ]

Reference： [1]Chemical Communications,2015,vol. 51,p. 7349 - 7351

44
[ 67-56-1 ]
[ 99-93-4 ]
[ 32136-81-5 ]

Reference： [1]European Journal of Organic Chemistry,2016,vol. 2016,p. 5257 - 5262

45
[ 32136-81-5 ]
1-(4-{3-[2,6-dichloro-4-(3,3-dichloro-allyloxy)-phenoxy]-propoxy}-phenyl)-2-methoxy-ethanone O-methyl-oxime [ No CAS ]

Reference： [1]Patent: WO2004/113273,2004,A1

46
1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-2-propanol (2:1) dextro-tartrate salt [ No CAS ]
[ 41063-31-4 ]
[ 6452-57-9 ]
1-N-Isopropylamino-2-propanon [ No CAS ]
[ 16757-32-7 ]
[ 32136-81-5 ]
C₅H₁₃NO₂ [ No CAS ]
C₇H₁₂O₂ [ No CAS ]
C₆H₁₅NO₃ [ No CAS ]
C₁₀H₉NO₂ [ No CAS ]
C₁₃H₁₇NO₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With 1at% Cu-doped TiO₂ at 25℃; for 0.583333h; UV-irradiation;	2.4. Photodegradation tests General procedure: The degradation of metoprolol was evaluated by photocatalysis andphoto-Fenton-like processes in a batch reactor with a total volume of 0.1L. The initial metoprolol concentration was 50 mg/L, which correspondsto the actual concentration that may come from some industrial discharges[20]. The catalyst loading was 0.4 g L -1 [21,22] and was keptcompletely dispersed in the photo-reactor by continuous stirring. Thesource of radiation was a UV lamp placed inside the reactor with amonochromatic emission at 254 nm, a power of 8 W and an averageradiation intensity of 166 W m -2. The reactor was a glass cylinder (2.5cm wide) and the lamp was placed at the center. The metoprolol solutionwas maintained at constant temperature (25 °C) by a thermal bath. Theprocedure of a typical experiment was as follows: batch reactor withmetoprolol solution, followed by the addition of photocatalyst andfinally turning on the radiation source (254 nm radiation from a lampplaced at the center of the reactor). For reactions that required hydrogenperoxide, this was incorporated in stoichiometric amount, according tothe reaction of total MET mineralization, just before the lamp wasturned on. All experiments were carried out at natural pH (pH0 ≈ 5.6).

Reference： [1]Avilés-García, Osmín; Espino-Valencia, Jaime; Mendoza-Zepeda, Arisbeht; Donkor, Kingsley; Brewer, Sharon; Romero, Rubi; Natividad, Reyna [Catalysis Today, 2022, vol. 397-399, p. 562 - 573]

47
1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-2-propanol (2:1) dextro-tartrate salt [ No CAS ]
[ 41063-31-4 ]
[ 6452-57-9 ]
1-N-Isopropylamino-2-propanon [ No CAS ]
C₁₂H₁₇NO₂ [ No CAS ]
[ 16757-32-7 ]
[ 32136-81-5 ]
C₅H₁₃NO₂ [ No CAS ]
C₆H₁₁NO₃ [ No CAS ]
C₆H₁₅NO₃ [ No CAS ]
C₁₀H₉NO₂ [ No CAS ]
C₁₃H₁₇NO₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With 1at% Cu-doped TiO₂ at 25℃; for 0.583333h; Photolysis;	2.4. Photodegradation tests General procedure: The degradation of metoprolol was evaluated by photocatalysis andphoto-Fenton-like processes in a batch reactor with a total volume of 0.1L. The initial metoprolol concentration was 50 mg/L, which correspondsto the actual concentration that may come from some industrial discharges[20]. The catalyst loading was 0.4 g L -1 [21,22] and was keptcompletely dispersed in the photo-reactor by continuous stirring. Thesource of radiation was a UV lamp placed inside the reactor with amonochromatic emission at 254 nm, a power of 8 W and an averageradiation intensity of 166 W m -2. The reactor was a glass cylinder (2.5cm wide) and the lamp was placed at the center. The metoprolol solutionwas maintained at constant temperature (25 °C) by a thermal bath. Theprocedure of a typical experiment was as follows: batch reactor withmetoprolol solution, followed by the addition of photocatalyst andfinally turning on the radiation source (254 nm radiation from a lampplaced at the center of the reactor). For reactions that required hydrogenperoxide, this was incorporated in stoichiometric amount, according tothe reaction of total MET mineralization, just before the lamp wasturned on. All experiments were carried out at natural pH (pH0 ≈ 5.6).

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{[ 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) ]}	{[ 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 -

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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
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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. 32136-81-5 ]

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[ 32136-81-5 ] Synthesis Path-Upstream 1~15

[ 32136-81-5 ] Synthesis Path-Downstream 1~47

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Aryls

Ethers

Ketones

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[ 32136-81-5 ]