[ CAS No. 41607-95-8 ] {[proInfo.proName]}

Name: 41607-95-8|Ethyl (2-methyoxybenzoyl)acetate|98%
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Quality Control of [ 41607-95-8 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 41607-95-8 ]

CAS No. :	41607-95-8	MDL No. :	MFCD01311633
Formula :	C₁₂H₁₄O₄	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	KROPYAVVJDXRPH-UHFFFAOYSA-N
M.W :	222.24	Pubchem ID :	2759695
Synonyms :

Calculated chemistry of [ 41607-95-8 ]

Physicochemical Properties

Num. heavy atoms :	16
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.33
Num. rotatable bonds :	6
Num. H-bond acceptors :	4.0
Num. H-bond donors :	0.0
Molar Refractivity :	58.83
TPSA :	52.6 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) :	-6.09 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.13
Log Po/w (XLOGP3) :	2.21
Log Po/w (WLOGP) :	1.83
Log Po/w (MLOGP) :	1.31
Log Po/w (SILICOS-IT) :	2.37
Consensus Log Po/w :	1.97

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.49
Solubility :	0.716 mg/ml ; 0.00322 mol/l
Class :	Soluble
Log S (Ali) :	-2.95
Solubility :	0.25 mg/ml ; 0.00112 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.37
Solubility :	0.0955 mg/ml ; 0.00043 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.86

Safety of [ 41607-95-8 ]

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 [ 41607-95-8 ]

* 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.

Downstream synthetic route of [ 41607-95-8 ]

[ 41607-95-8 ] Synthesis Path-Downstream 1~87

1
[ 504-29-0 ]
[ 41607-95-8 ]
3-(2-methoxy-phenyl)-3-oxo-propionic acid-[2]pyridylamide [ No CAS ]

Reference： [1]Journal of the American Chemical Society,1944,vol. 66,p. 1805,1808

2
[ 6398-87-4 ]
[ 41607-95-8 ]
3-(2-methoxy-phenyl)-3-oxo-propionic acid-(3-[1,3]dioxolan-2-yl-anilide) [ No CAS ]

Reference： [1]Journal of the American Chemical Society,1954,vol. 76,p. 3593

3
[ 606-45-1 ]
[ 41607-95-8 ]

Reference： [1]Archiv der Pharmazie,1933,vol. 271,p. 431,435

4
[ 7335-26-4 ]
[ 41607-95-8 ]

Reference： [1]Archiv der Pharmazie,1933,vol. 271,p. 431,435

5
[ 41607-95-8 ]
[ 5728-65-4 ]
3-(2-methoxy-phenyl)-3-oxo-propionic acid o-terphenyl-4-ylamide [ No CAS ]

Reference： [1]Journal of Organic Chemistry,1949,vol. 14,p. 169

6
[ 41607-95-8 ]
[ 855641-67-7 ]
5-[3-(2-{4-[2-chloro-3-(2-methoxy-phenyl)-3-oxo-propionylamino]-phenoxy}-acetylamino)-4-(2,4-di-tert-pentyl-phenoxy)-benzoylamino]-isophthalic acid dimethyl ester [ No CAS ]

Reference： [1]Patent: US2728658,1952,

7
[ 41607-95-8 ]
[ 579-74-8 ]

Reference： [1]Chemische Berichte,1892,vol. 25,p. 1304

8
[ 41607-95-8 ]
3-(2-methoxy-phenyl)-2H-isoxazol-5-one [ No CAS ]

Reference： [1]Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,1909,vol. 148,p. 352
Annales de Chimie (Cachan, France),1909,vol. <8> 17,p. 366

9
[ 41607-95-8 ]
[ 76103-94-1 ]

Yield	Reaction Conditions	Operation in experiment
94%	With sodium hydroxide; In water; at 20℃;	General procedure: beta-Ketoester (5 mmol) was added onto an aqueous solution(5 cm3) of NaOH (1 equiv, 5 mmol, 200 mg). The mixturewas stirred under air atmosphere at room temperature over12 h. Et2O (5 cm3) was then added. The layers were separated,and the aqueous one was washed with Et2O(2 9 5 cm3) before to be acidified with a concentratedsolution of HCl (37% w:w in H2O) to reach pH 1. Theproduct was then extracted with EtOAc (3 9 5 cm3). Thecombined organic layers were dried onto anhydrousNa2SO4, filtered, and concentrated under reduced pressureto give the desired b-ketoacid in mixture with the correspondingdecarboxylated ketone. The yield in b-ketoacidwas determined by 1H NMR experiments integratingcharacteristic signals of b-ketoacid (and its enol tautomer)and ketone. Then, a part of the mixture was directlyengaged in the subsequent condensation reaction.

Reference： [1]Monatshefte fur Chemie,2017,vol. 148,p. 57 - 62
[2]Chemische Berichte,1892,vol. 25,p. 1304

10
[ 41607-95-8 ]
[ 70311-27-2 ]

Reference： [1]Archiv der Pharmazie,1933,vol. 271,p. 431,435

11
[ 41607-95-8 ]
[ 190248-05-6 ]

Reference： [1]Journal of Biological Chemistry,1941,vol. 138,p. 529,533

12
[ 41607-95-8 ]
[ 118-93-4 ]

Reference： [1]Chemische Berichte,1904,vol. 37,p. 2635

13
[ 141-97-9 ]
[ 21615-34-9 ]
[ 41607-95-8 ]

Reference： [1]Journal of Agricultural and Food Chemistry,2005,vol. 53,p. 9566 - 9570
[2]Chemische Berichte,1919,vol. 52,p. 124

14
[ 41607-95-8 ]
[ 75-03-6 ]
[ 861341-15-3 ]

Reference： [1]Chemische Berichte,1919,vol. 52,p. 124

15
[ 41607-95-8 ]
[ 113-00-8 ]
[ 55982-12-2 ]

Reference： [1]Patent: US2704285,1954,
[2]Journal of Medicinal Chemistry,1985,vol. 28,p. 1864 - 1869

16
[ 7335-26-4 ]
[ 141-78-6 ]
[ 41607-95-8 ]

Reference： [1]Chemische Berichte,1892,vol. 25,p. 1304

17
[ 41607-95-8 ]
[ 100-01-6 ]
[ 808759-94-6 ]

Reference： [1]Patent: US2710803,1953,

18
[ 41607-95-8 ]
[ 88-74-4 ]
[ 131517-02-7 ]

Reference： [1]Journal of the American Chemical Society,1957,vol. 79,p. 2919,2925

19
[ 41607-95-8 ]
[ 62-53-3 ]
[ 92963-33-2 ]

Reference： [1]Journal of the American Chemical Society,1957,vol. 79,p. 2919,2925

20
[ 41607-95-8 ]
[ 100-63-0 ]
[ 939898-79-0 ]

Reference： [1]Chemische Berichte,1892,vol. 25,p. 1304

21
[ 41607-95-8 ]
[ 99-09-2 ]
[ 131517-03-8 ]

Reference： [1]Journal of the American Chemical Society,1957,vol. 79,p. 2919,2925

22
[ 41607-95-8 ]
[ 114-83-0 ]
5-(2-methoxy-phenyl)-1-phenyl-1,2-dihydro-pyrazol-3-one [ No CAS ]

Reference： [1]Journal of the American Chemical Society,1945,vol. 67,p. 99,101

23
[ 41607-95-8 ]
[ 97-52-9 ]
3-(2-methoxy-phenyl)-3-oxo-propionic acid-(2-methoxy-4-nitro-anilide) [ No CAS ]

Reference： [1]Patent: US2698796,1953,

24
[ 108-73-6 ]
[ 41607-95-8 ]
[ 24050-67-7 ]

Reference： [1]Chemical and pharmaceutical bulletin,1987,vol. 35,p. 3909 - 3913

25
[ 41607-95-8 ]
[ 119031-50-4 ]

Reference： [1]Journal of Organic Chemistry USSR (English Translation),1988,vol. 24,p. 1641 - 1643
Zhurnal Organicheskoi Khimii,1988,vol. 24,p. 1820 - 1823

26
[ 41607-95-8 ]
[ 24031-70-7 ]

Reference： [1]Journal of Organic Chemistry,1984,vol. 49,p. 4419 - 4424
[2]Bioorganic and Medicinal Chemistry Letters,2002,vol. 12,p. 319 - 323

27
[ 92252-55-6 ]
[ 41607-95-8 ]

Reference： [1]Collection of Czechoslovak Chemical Communications,1988,vol. 53,p. 839 - 850

28
[ 104600-18-2 ]
[ 41607-95-8 ]

Reference： [1]Liebigs Annalen der Chemie,1987,p. 29 - 37

29
[ 41607-95-8 ]
[ 122-51-0 ]
[ 103318-64-5 ]

Reference： [1]Liebigs Annalen der Chemie,1987,p. 29 - 37

30
[ 579-74-8 ]
[ 105-58-8 ]
[ 41607-95-8 ]

Yield	Reaction Conditions	Operation in experiment
88%		Sodium hydride (480mg, 20.0 mmmol) was taken in dry THF (18mL) in a 100mL round bottom flask under N2 and cooled it down to 0C. To it was added a solution of ethyl 3-(2-methoxyphenyl)-3-oxopropanoate (1.0g, 6.7mmol) in THF (2mL). The reaction mixture was stirred at rt for 30min followed by the addition of diethyl carbonate (3.2mL, 26.8mmol). The reaction mixture was then stirred at rt for 14h. Ice-cooled water was added dropwise to quench the reaction. It was extracted with EtOAc (3×75mL). The combined organic layer was dried over anhydrous Na2SO4 and concentrated under reduced pressure. The crude was further purified by flash chromatography on silica gel (60-120 mesh) using 10% hexane-EtOAc as eluent to afford 2c as a colourless liquid (1.3g, 88%). LC-MS (ESI) m/z 223.32 [M+H+]; 97% (purity).
86%	With sodium hydride; In toluene; mineral oil;	General procedure: The substrate b-ketoesters 10 a-n were either purchased or synthesized following published procedures. Some benzoylacetates were commercially available. Ethyl 3-oxo-3-phenyl propanoate (10a) was purchased. The reaction of benzoylacetates 10 b-n was prepared as described in previous reports. 25-27 A solution of a substituted acetophenone 8 a-n (0.05 mol) dissolved in toluene (50 mL) was added dropwise to a solution containing diethyl carbonate (9) (0.10 mol) and sodium hydride (0.15 mol 60% dispersion in mineral oil). The mixture was stirred at room temperature, and then refluxed for 30 min. The mixture was poured into ice water,acidified with glacial acetic acid, and extracted with EtOAc (3x100 mL). The EtOAc extract was then dried over anhydrous MgSO4. After removal of the solvent in vacuo, the crude products were purified by silica gel column chromatography eluting with dichloromethane to afford benzoylacetates 10 b-n. All synthetic compounds were in agreement with 1H NMR, 13C NMR, IR and mass spectroscopic data.
	In tetrahydrofuran;	A. Ethyl O-methoxybenzoylacetate To a suspension of 7.7 g. (0.32 mole of oil-free sodium hydride in 200 ml. of cold (0 C.) tetrahydrofuran containing 72.6 g. (0.61 mole) of diethyl carbonate was added dropwise under a nitrogen atmosphere 44 g. (0.29 mole) of O-methoxyacetophenone in 200 ml. of tetrahydrofuran. When the addition was complete, the reaction was allowed to stir at 0 C. for 2 hours. The reaction was cooled, poured into a 10% hydrochloric acid solution and extracted with ether. The combined extracts were washed with brine and water, dried over magnesium sulfate and concentrated in vacuo, 36 g.

Reference： [1]Bioorganic and Medicinal Chemistry,2017,vol. 25,p. 3922 - 3946
[2]Bioorganic and Medicinal Chemistry,2013,vol. 21,p. 5064 - 5075
[3]Chemical and pharmaceutical bulletin,1987,vol. 35,p. 3909 - 3913
[4]Journal of Medicinal Chemistry,1997,vol. 40,p. 2266 - 2275
[5]Patent: US4575507,1986,A
[6]European Journal of Organic Chemistry,2015,vol. 2015,p. 3656 - 3660
[7]Journal of Medicinal Chemistry,2018,vol. 61,p. 791 - 803
[8]Organic and Biomolecular Chemistry,2018,vol. 16,p. 4683 - 4687

31
[ 41607-95-8 ]
2,3-Bis-(2-methoxy-benzoyl)-succinic acid diethyl ester [ No CAS ]

Reference： [1]Synthetic Communications,1997,vol. 27,p. 331 - 336

32
[ 41607-95-8 ]
[ 101349-30-8 ]
(E)-3-(2-Chloro-4-methoxycarbonylmethyl-phenylamino)-3-(4-methoxy-phenyl)-acrylic acid ethyl ester [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,1997,vol. 7,p. 1519 - 1524

33
[ 504-29-0 ]
[ 41607-95-8 ]
2-(2-methoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		EXAMPLE 3 Data Regarding Specific 2-Phenyl-pyrido[1,2, a]pyrimidin-4-ones (Compounds 7-38) 2-(2'-Methoxyphenyl)-pyrido[1,2-a]pyrimidin-4-one (7) is obtained from ethyl 2'-methoxybenzoylacetate and 2-aminopyridine. Characteristics: needles;, mp 148-149 C.; 1 H NMR (CDCl3) delta 9.08 (d, J=7.0 Hz, 1 H, H-6), 7.98 (dd, J=7.5, 1.5 Hz, 1 H, H-6'), 7.78 (d, J=7.0 Hz, 1 H, H-9), 7.74 (t, J=7.0 Hz, 1 H, H-8), 7.44 (td, J=7.5, 1.5 Hz, 1 H, H-4'), 7.15 (s, 1 H, H-3), 7.14 (t, J=7.5 Hz, 1 H, H-5'), 7.12 (t, J=7.0 Hz, 1 H-7), 7.04 (br. d, J=8.5 Hz, 1 H, H-3'), 3.92 (s, 3 H, OCH3 -2'). MS m/z 252 (M+).

Reference： [1]Journal of Medicinal Chemistry,1997,vol. 40,p. 2266 - 2275
[2]Patent: US5994367,1999,A

34
[ 1824-81-3 ]
[ 41607-95-8 ]
[ 191218-28-7 ]

Reference： [1]Journal of Medicinal Chemistry,1997,vol. 40,p. 2266 - 2275

35
[ 1603-41-4 ]
[ 41607-95-8 ]
2-(2-methoxyphenyl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1997,vol. 40,p. 2266 - 2275

36
[ 695-34-1 ]
[ 41607-95-8 ]
2-(2'-Methoxyphenyl)-8-methyl-pyrido[1,2-a]pyrimidin-4-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		2-(2'-Methoxyphenyl)-8-methyl-pyrido[1,2-a]pyrimidin-4-one (8) is obtained from ethyl 2'-methoxybenzoylacetate and 2-amino-4-picoline. Characteristics: prisms; mp 154-155 C.; 1 H NMR (CDCl3) delta 8.96 (d, J=7.0 Hz, 1 H, H-6), 7.95 (dd, J=7.5, 1.5 Hz, 1 H, H-6'), 7.57 (br. s, 1 H, H-9), 7.44 (td, J=7.5, 1.5 Hz, 1 H, H-4'), 7.09 (t, J=7.5 Hz, 1 H, H-5'), 7.05 (s, 1 H, H-3), 7.02 (br. d, J=8.0 Hz, 1 H, H-7), 6.97 (dd, J=7.5, 1.5 Hz, 1 H, H-3'), 3.90 (s, 3 H, OCH3 -2'), 2.49 (s, 3 H, CH3 -8). MS m/z 266 (M+).

Reference： [1]Journal of Medicinal Chemistry,1997,vol. 40,p. 2266 - 2275
[2]Patent: US5994367,1999,A

37
[ 5407-87-4 ]
[ 41607-95-8 ]
[ 191218-29-8 ]

Reference： [1]Journal of Medicinal Chemistry,1997,vol. 40,p. 2266 - 2275

38
[ 41607-95-8 ]
[ 70200-18-9 ]
[ 70200-18-9 ]

Reference： [1]Tetrahedron Asymmetry,1999,vol. 10,p. 4663 - 4666

39
[ 41607-95-8 ]
p-toluamide oxime [ No CAS ]
1-(2-methoxy-phenyl)-2-(p-tolyl-[1,2,4]oxadiazol-5-yl)-ethanone [ No CAS ]

Reference： [1]Bulletin des Societes Chimiques Belges,1949,vol. 58,p. 66,71

40
[ 41607-95-8 ]
5-amino-2-phenyl-l,2-dihydro-pyrazol-3-one [ No CAS ]
5-(2-methoxy-phenyl)-1-phenyl-4H-pyrazolo[1,5-a]pyrimidine-2,7-dione [ No CAS ]

Reference： [1]Patent: US2735769,1953,

42
[ 7664-93-9 ]
[ 41607-95-8 ]
[ 579-74-8 ]

Reference： [1]Chemische Berichte,1892,vol. 25,p. 1304

Yield	Reaction Conditions	Operation in experiment
76%	With sodium hydride; In tetrahydrofuran; mineral oil; for 17h;Reflux;	General procedure: General Method 1: Beta-ketoester Synthesis:_To a solution of an acetophenone (1 equiv) in THF (10 vol) was added a dialkyl carbonate (2 equiv) and NaH (60%, 2 equiv). The solution was heated to reflux for 17 hours, before cooling to 0C with the aid of an ice bath. The dark brown mixture was carefully acidified to pH 4 with 36% HC1 and filtered to remove inorganic impurities. The filtrate was poured into a large amount of water (50 vol) and extracted with ethyl acetate (3 x 10 vol). The combined extracts were washed with brine (15 vol),dried over magnesium sulfate, filtered, and concentrated under reduced pressure. As required, the product was then purified via a standard method(s).:_Ethyl 3-(2-chloro-4-fluorophenyl)-3-oxopropanoate was synthesized from 1 -(2-chloro-4- fluorophenyl)ethanone and diethyl carbonate according to General Method 1 and was chromatographed by silica gel column chromatography eluting with heptanes:ethyl acetate gradients to provide the titlecompound as an orange oil (3.1 g, 40% yield).
	With sodium hydride; In toluene; mineral oil; for 0.333333h;Reflux;	General procedure: General procedure for the synthesis of ethyl 3-substituted-3-oxopropanoate (1 1-20) To a stirring suspension of NaH and CO(OEt)2 (10) in toluene was added dropwise a solution of substituted acetophenone (1-9) in toluene under reflux. The mixture was allowed to reflux and was stirred for 20 min after the addition was complete. When cooled to room temperature, the mixture was acidified with glacial HOAc. After ice-cold water was added, the mixture was extracted with toluene. The extract was then dried over anhydrous MgS04. After the toluene was evaporated in vacuo to give the corresponding substituted ethyl 3-phenyl-3-oxopropanoate

44
[ 41607-95-8 ]
<2,4-di-tert-pentyl-phenoxy>-acetic acid-<4-amino-anilide> [ No CAS ]
[ 858816-51-0 ]

Reference： [1]Patent: US2728658,1952,

45
[ 41607-95-8 ]
4-chloro-3-amino-benzene-sulfonic acid-(1)-<N-(3-phenyl-propyl)-p-toluidide> [ No CAS ]
4-chloro-3-[3-(2-methoxy-phenyl)-3-oxo-propionylamino]-benzenesulfonic acid-[N-(3-phenyl-propyl)-p-toluidide] [ No CAS ]

Reference： [1]Patent: US2407210,1944,

46
[ 623-73-4 ]
[ 135-02-4 ]
[ 41607-95-8 ]

Reference： [1]Journal of Organic Chemistry,2001,vol. 66,p. 6323 - 6332

47
[ 41607-95-8 ]
[ 373596-95-3 ]

Yield	Reaction Conditions	Operation in experiment
	With 4-acetamidobenzenesulfonyl azide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 0 - 20℃;	General procedure: The alpha-diazocarbonyl compounds 2a-2n were prepared according to the reported procedures [29].To a solution of beta-ketoester or beta-diketone (1.0 equiv.) and N-(4-azidosulfonylphenyl)acetamide(1.2 equiv.) in CH3CN at 0 C was added DBU (1.2 equiv.). The resulting solution was stirred at 0 C for 3 h and slowly brought to room temperature. Upon completion, as indicated by thin layerchromatography (TLC), the reaction was quenched with water, extracted with ethyl acetate, and driedover anhydrous Na2SO4. The reaction mixture was concentrated under reduced pressure, and the crudeproduct was purified by column chromatography using n-hexane/EtOAc (92:8) to aord corresponding-diazocarbonyl compounds 2a-2n.

Reference： [1]Journal of Organic Chemistry,2001,vol. 66,p. 6323 - 6332
[2]Molecules,2019,vol. 24
[3]Organic and Biomolecular Chemistry,2019,vol. 17,p. 7042 - 7054

48
[ 41607-95-8 ]
(R)-3-hydroxy-3-(2-methyloxyphenyl)-propionic acid ethyl ester [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
> 99%	With (2R,2'R,3R,3'R)-3,3'-di-tert-butyl-2,2'-diisopropyl-2,2',3,3'-tetrahydro-4,4'-bibenzo[d][1,3]oxaphosphole; hydrogen; palladium diacetate; In acetone; at 0 - 20℃; under 225023 Torr; for 20h;Glovebox;	The reaction was as follows: In a nitrogen atmosphere, palladium trifluoroacetate (0.33 mg, 2 mumol) and L3 (1.1 mg, 2.4 mumol) were mixed in a glove box, 1 mL of degassed acetone was added, and the mixture was stirred at room temperature for 1 hour, and the solvent was drained to obtain The in-situ generated metal complex was dissolved in 0.5 mL of pentafluoropropanol, added to a hydrogenation bottle, and 4 m (20 mg, 0.1 mmol) was added. The hydrogenated bottle was transferred to an autoclave. After the reaction vessel was closed, hydrogen was replaced three times, hydrogen gas was charged to 30 atm, and the reaction was carried out at 0 C. for 20 hours and then returned to room temperature. The hydrogen was vented and the reactor was opened. The crude reaction solution was filtered through a microporous membrane to remove metal ions. After diluting with isopropanol, the conversion rate and product were directly determined by HPLC with a chiral AD-H column.Ethyl (R)-3-hydroxy-3-(o-methoxyphenyl)propanoateThe ee value of [(R)-5m] is >99%.

Reference： [1]Chinese Journal of Chemistry,2018,vol. 36,p. 153 - 156
[2]Patent: CN107827929,2018,A .Location in patent: Paragraph 0313; 0314; 0315; 0316; 0317
[3]Journal of the American Chemical Society,2002,vol. 124,p. 4952 - 4953
[4]Advanced Synthesis and Catalysis,2009,vol. 351,p. 2553 - 2557

49
[ 3183-22-0 ]
[ 41607-95-8 ]
1-i-propyl-3-(α-hydroxy-2'-methoxybenzylidene)pyrrolidine-2,4-dione [ No CAS ]

Reference： [1]Molecules,2005,vol. 10,p. 427 - 434

50
[ 37885-76-0 ]
[ 41607-95-8 ]
1-t-butyl-3-(α-hydroxy-2'-methoxybenzylidene)pyrrolidine-2,4-dione [ No CAS ]

Reference： [1]Molecules,2005,vol. 10,p. 427 - 434

51
[ 108-73-6 ]
[ 41607-95-8 ]
[ 10458-35-2 ]

Reference： [1]Journal of Organic Chemistry,2005,vol. 70,p. 2855 - 2858

52
[ 41607-95-8 ]
(S)-ethyl 3-hydroxy-3-(2-methoxyphenyl)propanoate [ No CAS ]
(R)-3-hydroxy-3-(2-methyloxyphenyl)-propionic acid ethyl ester [ No CAS ]

Reference： [1]Tetrahedron Letters,2006,vol. 47,p. 1901 - 1903
[2]Tetrahedron Letters,2009,vol. 50,p. 1038 - 1040
[3]Green Chemistry,2017,vol. 19,p. 5367 - 5370

53
[ 41607-95-8 ]
[ 70200-18-9 ]

Reference： [1]Tetrahedron,2006,vol. 62,p. 5133 - 5140

54
[ 41607-95-8 ]
[ 70200-18-9 ]

Reference： [1]Journal of Organic Chemistry,2007,vol. 72,p. 2240 - 2242

55
[ 110-82-7 ]
[ 41607-95-8 ]
ethyl 2-cyclohexyl-3-(2-methoxyphenyl)-3-oxopropanoate [ No CAS ]

Reference： [1]European Journal of Organic Chemistry,2007,p. 4654 - 4657

56
[ 41607-95-8 ]
(S)-ethyl 3-hydroxy-3-(2-methoxyphenyl)propanoate [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2012,vol. 51,p. 201 - 203
[2]Tetrahedron,2006,vol. 62,p. 5133 - 5140

57
[ 41607-95-8 ]
5-chloro-3-(2-methoxy-phenyl)-isoxazole [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2002,vol. 12,p. 319 - 323

58
[ 41607-95-8 ]
(3-azepan-1-yl-propyl)-benzo[1,3]dioxol-5-ylmethyl-[3-(2-methoxy-phenyl)-isoxazol-5-yl]-amine [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2002,vol. 12,p. 319 - 323

59
[ 41607-95-8 ]
[ 87770-64-7 ]

Reference： [1]Journal of Organic Chemistry,2001,vol. 66,p. 6323 - 6332

60
[ 41607-95-8 ]
2-(2'-Methoxyphenyl)-1,8-naphthyridin-4-one [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1997,vol. 40,p. 2266 - 2275

61
[ 41607-95-8 ]
2-(2-methoxyphenyl)-6-methyl-1,8-naphthyridin-4(1H)-one [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1997,vol. 40,p. 2266 - 2275

62
[ 41607-95-8 ]
2-(2'-Methoxyphenyl)-5-methyl-1,8-naphthyridin-4-one [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1997,vol. 40,p. 2266 - 2275

63
[ 41607-95-8 ]
2-(2'-Methoxyphenyl)-7-methyl-1,8-naphthyridin-4-one [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1997,vol. 40,p. 2266 - 2275

64
[ 41607-95-8 ]
2-(2'-Methoxyphenyl)-5,7-dimethyl-1,8-naphthyridin-4-one [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1997,vol. 40,p. 2266 - 2275

65
[ 41607-95-8 ]
8-Chloro-2-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-acetic acid [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,1997,vol. 7,p. 1519 - 1524

66
[ 41607-95-8 ]
[ 149264-77-7 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,1997,vol. 7,p. 1519 - 1524

67
[ 41607-95-8 ]
[8-Chloro-2-(4-methoxy-phenyl)-4-oxo-1,4-dihydro-quinolin-6-yl]-acetic acid methyl ester [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,1997,vol. 7,p. 1519 - 1524

68
[ 41607-95-8 ]
[4,8-Dichloro-2-(4-methoxy-phenyl)-quinolin-6-yl]-acetic acid methyl ester [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,1997,vol. 7,p. 1519 - 1524

69
[ 41607-95-8 ]
[ 74602-64-5 ]

Reference： [1]Journal of Medicinal Chemistry,1985,vol. 28,p. 1864 - 1869

70
[ 41607-95-8 ]
[ 74602-65-6 ]

Reference： [1]Journal of Medicinal Chemistry,1985,vol. 28,p. 1864 - 1869

71
[ 41607-95-8 ]
[ 74602-66-7 ]

Reference： [1]Journal of Medicinal Chemistry,1985,vol. 28,p. 1864 - 1869

72
[ 41607-95-8 ]
[ 103318-45-2 ]

Reference： [1]Liebigs Annalen der Chemie,1987,p. 29 - 37

73
[ 41607-95-8 ]
[ 103318-65-6 ]

Reference： [1]Liebigs Annalen der Chemie,1987,p. 29 - 37

74
[ 41607-95-8 ]
[ 103318-48-5 ]

Reference： [1]Liebigs Annalen der Chemie,1987,p. 29 - 37

75
[ 21615-34-9 ]
ammonium carbonate [ No CAS ]
[ 41607-95-8 ]

Reference： [1]Liebigs Annalen der Chemie,1987,p. 29 - 37

76
[ 41607-95-8 ]
[ 92397-27-8 ]

Reference： [1]Journal of Organic Chemistry,1984,vol. 49,p. 4419 - 4424

77
[ 41607-95-8 ]
4-acetyl-3-(2-methoxyphenyl)isoxazol-5(4H)-one [ No CAS ]

Reference： [1]Journal of Organic Chemistry,1984,vol. 49,p. 4419 - 4424

78
[ 21615-34-9 ]
[ 41607-95-8 ]

Reference： [1]Collection of Czechoslovak Chemical Communications,1988,vol. 53,p. 839 - 850

79
[ 41607-95-8 ]
[ 805241-12-7 ]

Reference： [1]Patent: US2710803,1953,

80
[ 41607-95-8 ]
[ 68854-62-6 ]

Reference： [1]Journal of the American Chemical Society,1957,vol. 79,p. 2919,2925

81
[ 41607-95-8 ]
[ 857534-24-8 ]

Reference： [1]Patent: US2728658,1952,

82
[ 41607-95-8 ]
[ 858816-51-0 ]

Reference： [1]Patent: US2728658,1952,

83
[ 41607-95-8 ]
1-[2-chloro-3-(2-methoxy-phenyl)-3-oxo-propionylamino]-4-[3-(4-tert-pentyl-phenoxy)-benzoylamino]-benzene [ No CAS ]

Reference： [1]Patent: US2728658,1952,

84
[ 41607-95-8 ]
[ 854428-87-8 ]

Reference： [1]Patent: US2728658,1952,

85
[ 41607-95-8 ]
1-[2-chloro-3-(2-methoxy-phenyl)-3-oxo-propionylamino]-4-[2-(2,4-di-tert-pentyl-phenoxy)-acetylamino]-benzene [ No CAS ]

Reference： [1]Patent: US2728658,1952,
[2]Patent: US2728658,1952,

86
[ 41607-95-8 ]
1-[2-chloro-3-(2-methoxy-phenyl)-3-oxo-propionylamino]-4-[2-(2,4-di-tert-pentyl-phenoxy)-butyrylamino]-benzene [ No CAS ]

Reference： [1]Patent: US2728658,1952,

87
[ 41607-95-8 ]
4-[2-(2,4-di-tert-pentyl-phenoxy)-5-nitro-benzoylamino]-2-methoxy-1-[3-(2-methoxy-phenyl)-3-oxo-propionylamino]-benzene [ No CAS ]

Reference： [1]Patent: US2698796,1953,

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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. 41607-95-8 ] {[proInfo.proName]}

Quality Control of [ 41607-95-8 ]

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Product Details of [ 41607-95-8 ]

Calculated chemistry of [ 41607-95-8 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 41607-95-8 ]

Application In Synthesis of [ 41607-95-8 ]

[ 41607-95-8 ] Synthesis Path-Downstream 1~87

Related Functional Groups of [ 41607-95-8 ]

Aryls

Ethers

Esters

Ketones

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 41607-95-8 ]