33130-04-0|3-(2,3,4-Trimethoxyphenyl)propanoic acid| Ambeed

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Quality Control of [ 33130-04-0 ] Purity: 98+% SDS Specification

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Product Details of [ 33130-04-0 ]

CAS No. :	33130-04-0
Formula :	C₁₂H₁₆O₅
M.W :	240.25
SMILES Code :	O=C(O)CCC1=CC=C(OC)C(OC)=C1OC
MDL No. :	MFCD00002773
InChI Key :	QOPNYPCVRBRZOP-UHFFFAOYSA-N
Pubchem ID :	118401

Safety of [ 33130-04-0 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H315-H319-H335
Precautionary Statements:	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501

Application In Synthesis of [ 33130-04-0 ]

* 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 [ 33130-04-0 ]

[ 33130-04-0 ] Synthesis Path-Downstream 1~35

1
[ 64-17-5 ]
[ 33130-04-0 ]
[ 1057673-90-1 ]

References: [1]Journal of the Chemical Society,1910,vol. 97,p. 2260.

2
[ 33130-04-0 ]
[ 16718-42-6 ]

Yield	Reaction Conditions	Operation in experiment
78%	With methanesulfonic acid; phosphorus pentoxide; for 12h;Inert atmosphere;	28. 4,5,6-Trimethoxy-2,3-dihydro-1H-inden-1-one (28) To 27 (4.73 g, 19.68 mmol) in a flask, 40.0 mL of Eatons reagent (from Acros) was added and the solution was stirred for 12 h. The reaction mixture was poured over ice and the ice was allowed to melt. The aqueous phase was extracted with CH2Cl2 (2100 mL) and the combined organic phase was washed with NaHCO3 (Satd. soln.) (2200 mL). The organic phase was dried over Na2SO4 and solvent evaporated under reduced pressure to obtain 28 as white solid. Flash chromatography of the crude using a prepacked 50 g silica column, Eluents; solvent A, EtOAc, solvent B, hexanes; gradient, 10% A/90% B over 3.18 min (1 CV), 10% A/90% B→50% A/50% B over 33.0 min (10 CV), 50% A/50% B over 6.36 min (2 CV); flow rate 40.0 mL/min; monitored at λλ254 and 280 nm afforded 28, (2.12 g, 11.90 mmol, 78% yield) as a white solid. 1H NMR (500 MHz, CDCl3) δ 7.02 (1H, s, H-7), 3.96 (3H, s, OCH3-4), 3.95 (3H, s, OCH3-5), 3.88 (3H, s, OCH3-6), 3.04 (2H, t, J=5.7 Hz, H-3), 2.66 (2H, t, J=5.7 Hz, H-2). 13C NMR (126 MHz, CDCl3) δ 206.0 (C, C-1), 154.2 (C, C-6), 150.0 (C, C-4), 147.6 (C, C-5), 141.6 (C, C-3a), 132.5 (CH, C-1a), 100.6 (CH, C-7), 61.1 (CH3, OCH3-5), 60.6 (CH3, OCH3-4), 56.2 (CH3, OCH3-6), 36.1 (CH2, C-2), 22.4 (CH2, C-3).

References: [1]European Journal of Organic Chemistry,2022,vol. 2022.
[2]Patent: US2012/130129,2012,A1 .Location in patent: Page/Page column 12.
[3]RSC Advances,2015,vol. 5,p. 68128 - 68135.
[4]MedChemComm,2015,vol. 6,p. 1318 - 1327.
[5]Journal of the Chemical Society,1952,p. 1583,1587.

3
[ 33130-04-0 ]
[ 857813-99-1 ]

References: [1]Chemische Berichte,1930,vol. 63,p. 3029,3043.

4
[ 33130-04-0 ]
[ 76474-95-8 ]

References: [1]Canadian Journal of Research, Section B: Chemical Sciences,1945,vol. 23,p. 100,102.

5
[ 116406-19-0 ]
[ 33130-04-0 ]

Yield	Reaction Conditions	Operation in experiment
100%	With palladium 10% on activated carbon; hydrogen; In ethanol; ethyl acetate; for 18h;	Step 2 Synthesis of 3-(2,3,4-trimethoxyphenyl)propanoic acid 1.3 To a stirred solution of (E)-3-(2,3,4-trimethoxyphenyl)acrylic acid 1.2 (500 mg, 2.11 mmol) in a 1:1 mixture of ethanol and ethyl acetate (10 mL) was added at catalytic amount of 10% Pd/C under an atmosphere of hydrogen gas (balloon). After 18 h the reaction mixture was filtered and the solvent was removed in vacuo to afford an off-white solid. The resulting residue redissolved in diethyl ether (20 mL) and was washed with 2.5M aq. NaOH (320 mL). The combined aqueous extracts were acidified with 2M aq. HCl and the product was extracted with diethyl ether (330 mL). The combined ether extracts were dried over MgSO4, filtered and concentrated in vacuo to afford 3-(2,3,4-trimethoxyphenyl)propanoic acid 1.3 as a white solid (500 mg, 100%). 1H NMR (CDCl3, 400 MHz) δH ppm: 2.66 (2H, t, J=7.5 Hz, CH2), 2.90 (2H, t, J=7.5 Hz, CH2), 3.86 (3H, s, OMe), 3.88 (3H, s, OMe), 3.92 (3H, s, OMe), 6.61 (1H, d, J=8.0 Hz, ArH), 6.87 (1H, d, J=8.0 Hz, ArH) 13C NMR (CDCl3, 400 MHz) δc ppm: 24.72 (CH2), 34.45 (CH2), 55.53 (OMe), 60.27 (OMe), 60.41 (OMe), 106.62 (ArCH), 123.33 (ArCH), 125.60 (ArC), 141.74 (ArC), 151.44 (ArC), 152.06 (ArC), 191.57 (C=O) νmax (KBr)/cm-1 3004.2, 2834.9, 1712.9, 1599.5 HRMS: calculated 263.0895, found 263.0845, molecular formula (C12H16O5Na).; Melting point: 65-67 C.
98%	With hydrogen;palladium 10% on activated carbon; In methanol; for 24h;	27. 3-(2',3',4'-Trimethoxyphenyl)propanoic acid (27); Through a suspension of 10% Pd/C (396 mg) and cinnamic acid 25 (4.82 g, 20.19 mmol) in MeOH (100 mL), H2 gas (in balloons) was passed for 24 h. The reaction was monitored for completion by filtering a little amount of the reaction mixture through CELITE (diatomaceous earth) and evaporating the solvent to record NMR data. On completion, the reaction mixture was filtered through CELITE (diatomaceous earth) and the solvent was evaporated under reduced pressure to obtain propanoic acid analog 27 (4.73 g, 19.68 mmol, 98% yield), as a liquid.1H NMR (500 MHz, CDCl3) δ 6.85 (1H, d, J=8.5 Hz, H-6), 6.59 (1H, d, J=8.5 Hz, H-5), 3.90 (3H, s, OCH3-2'), 3.86 (3H, s, OCH3-3'), 3.84 (3H, s, OCH3-4'), 2.89 (2H, t, J=7.5, 8.0 Hz, H-3), 2.64 (2H, s, t, J=7.5, 8.0 Hz, H-2). 13C NMR (126 MHz, CDCl3) δ 179.4 (C, C-1), 152.5 (C, C-4'), 151.9 (C, C-2'), 142.2 (C, C-3'), 126.1 (C, C-1'), 123.8 (CH, C-6'), 107.1 (CH, C-5'), 60.8 (CH3, OCH3-2'), 60.7 (CH3, OCH3-3'), 56.0 (CH3, OCH3-4'), 34.9 (CH2, C-2), 25.2 (CH2, C-3).

References: [1]Patent: US2015/18566,2015,A1 .Location in patent: Paragraph 0200; 0201; 0202; 0203; 0204; 0205; 0206.
[2]Patent: US2012/130129,2012,A1 .Location in patent: Page/Page column 11-12.
[3]European Journal of Organic Chemistry,2022,vol. 2022.
[4]Chemische Berichte,1930,vol. 63,p. 3029,3043.

6
[ 141-78-6 ]
[ 2103-57-3 ]
[ 33130-04-0 ]

References: [1]Journal of the Chemical Society,1910,vol. 97,p. 2260.

7
[ 67-56-1 ]
[ 33130-04-0 ]
[ 67566-10-3 ]

References: [1]Journal of the American Chemical Society,1981,vol. 103,p. 6856 - 6863.

8
[ 33130-04-0 ]
[ 67566-08-9 ]

References: [1]Journal of the American Chemical Society,1981,vol. 103,p. 6856 - 6863.

9
[ 33130-04-0 ]
[ 106800-17-3 ]

References: [1]Journal of Organic Chemistry,1987,vol. 52,p. 1072 - 1078.

Yield	Reaction Conditions	Operation in experiment
		A method according to claim 6, in which the compound of formula (I) is a salt of: ... 3-(2-methoxyphenyl)propionic acid 1,4-benzodioxan-6-acetic acid 4-ethoxyphenylacetic acid 3-(3,4-dimethoxyphenyl)propionic acid 3-(2,3,4-trimethoxyphenyl)propionic acid 3-(3,4,5-trimethoxyphenyl)propionic acid.

11
[ 928846-98-4 ]
[ 33130-04-0 ]
[ 934176-50-8 ]

References: [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 1101 - 1115.

12
[ 33130-04-0 ]
[ 106800-38-8 ]

References: [1]Journal of Organic Chemistry,1987,vol. 52,p. 1072 - 1078.

13
[ 33130-04-0 ]
[ 106800-31-1 ]

References: [1]Journal of Organic Chemistry,1987,vol. 52,p. 1072 - 1078.

14
[ 33130-04-0 ]
[ 106800-30-0 ]

References: [1]Journal of Organic Chemistry,1987,vol. 52,p. 1072 - 1078.

15
[ 33130-04-0 ]
[ 106800-32-2 ]

References: [1]Journal of Organic Chemistry,1987,vol. 52,p. 1072 - 1078.

16
[ 33130-04-0 ]
[ 4228-71-1 ]

References: [1]Journal of the Chemical Society,1910,vol. 97,p. 2260.

17
[ 33130-04-0 ]
3-(2,3,4-trimethoxy-phenyl)-propionic acid hydrazide [ No CAS ]

References: [1]Journal of the Chemical Society,1910,vol. 97,p. 2260.

18
[ 634-36-6 ]
[ 33130-04-0 ]

References: [1]Chemische Berichte,1930,vol. 63,p. 3029,3043.

19
[ 33130-04-0 ]
[ 3937-16-4 ]

References: [1]Chemische Berichte,1930,vol. 63,p. 3029,3043.

20
[ 2103-57-3 ]
[ 33130-04-0 ]

References: [1]Chemische Berichte,1930,vol. 63,p. 3029,3043.
[2]Patent: US2015/18566,2015,A1 .
[3]RSC Advances,2015,vol. 5,p. 68128 - 68135.
[4]MedChemComm,2015,vol. 6,p. 1318 - 1327.
[5]European Journal of Organic Chemistry,2022,vol. 2022.

21
[ 33130-04-0 ]
[ 111859-48-4 ]