Product Name

  • Name

    3,4-Diethoxyphenylacetic acid

  • EINECS 253-957-3
  • CAS No. 38464-04-9
  • Density 1.133 g/cm3
  • Solubility
  • Melting Point 77-79 °C
  • Formula C12H16O4
  • Boiling Point 357.2 °C at 760 mmHg
  • Molecular Weight 224.257
  • Flash Point 134.1 °C
  • Transport Information
  • Appearance White solid
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 38464-04-9 (3,4-Diethoxyphenylacetic acid)
  • Hazard Symbols IrritantXi
  • Synonyms Aceticacid, (3,4-diethoxyphenyl)- (6CI);3,4-Diethoxyphenylacetic acid;3,4-Diethoxybenzene Acetic Acid;2-(3,4-diethoxyphenyl)acetic acid;
  • PSA 55.76000
  • LogP 2.11110

Synthetic route

ethyl 2-(3,4-diethoxyphenyl)acetate
69373-87-1

ethyl 2-(3,4-diethoxyphenyl)acetate

3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

Conditions
ConditionsYield
With sodium hydroxide In 1,4-dioxane at 50 - 60℃;95.9%
With water; sodium hydroxide In tetrahydrofuran at 50 - 60℃;88%
methyl 2-(3,4-diethoxyphenyl)acetate
92157-09-0

methyl 2-(3,4-diethoxyphenyl)acetate

3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

Conditions
ConditionsYield
With sodium hydroxide In 1,4-dioxane at 50 - 60℃;93.5%
With potassium hydroxide
1-(3,4-diethoxyphenyl)ethanone
1137-71-9

1-(3,4-diethoxyphenyl)ethanone

3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

Conditions
ConditionsYield
Stage #1: 1-(3,4-diethoxyphenyl)ethanone With morpholine; sulfur at 110 - 120℃; for 18h;
Stage #2: With sodium hydroxide In water at 100℃; for 8h;		73%
diethyl sulfate
64-67-5

diethyl sulfate

3,4-dihydroxyphenylacetate
102-32-9

3,4-dihydroxyphenylacetate

3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

Conditions
ConditionsYield
With barium dihydroxide In water at 20 - 40℃; for 4h;42%
3,4-diethoxyphenylacetonitrile
27472-21-5

3,4-diethoxyphenylacetonitrile

3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

Conditions
ConditionsYield
With potassium hydroxide
With sodium hydroxide
ethyl 2-(3,4-diethoxyphenyl)-2-oxoacetate
53017-34-8

ethyl 2-(3,4-diethoxyphenyl)-2-oxoacetate

3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: palladium; acetic acid; sulfuric acid / weiteres Reagens: Bromwasserstoff
View Scheme
Multi-step reaction with 2 steps
1: hydrogenchloride; hydrogen; palladium 10% on activated carbon / ethanol / 15 h / 60 °C
2: sodium hydroxide; water / tetrahydrofuran / 50 - 60 °C
View Scheme
1,2-diethoxy-4-chloromethyl-benzene
27472-20-4

1,2-diethoxy-4-chloromethyl-benzene

3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: benzene
2: aq.-ethanolic KOH-solution
View Scheme
1-bromo-3,4-dihydroxybenzene
17345-77-6

1-bromo-3,4-dihydroxybenzene

3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: potassium hydroxide / acetonitrile / 70 - 80 °C
2: potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane / 90 - 100 °C
3: potassium dihydrogenphosphate / 1,4-dioxane; water / 90 - 100 °C
4: sodium hydroxide / 1,4-dioxane / 50 - 60 °C
View Scheme
Multi-step reaction with 4 steps
1: potassium hydroxide / acetonitrile / 70 - 80 °C
2: potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane-d8 / 90 - 100 °C
3: potassium dihydrogenphosphate / 1,4-dioxane-d8 / 90 - 100 °C
4: sodium hydroxide / 1,4-dioxane / 50 - 60 °C
View Scheme
4-bromo-1,2-diethoxybenzene
53207-08-2

4-bromo-1,2-diethoxybenzene

3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane / 90 - 100 °C
2: potassium dihydrogenphosphate / 1,4-dioxane; water / 90 - 100 °C
3: sodium hydroxide / 1,4-dioxane / 50 - 60 °C
View Scheme
Multi-step reaction with 3 steps
1: potassium acetate; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane-d8 / 90 - 100 °C
2: potassium dihydrogenphosphate / 1,4-dioxane-d8 / 90 - 100 °C
3: sodium hydroxide / 1,4-dioxane / 50 - 60 °C
View Scheme
3,4-diethoxyphenylboronic acid
279262-08-7

3,4-diethoxyphenylboronic acid

3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: potassium dihydrogenphosphate / 1,4-dioxane-d8 / 90 - 100 °C
2: sodium hydroxide / 1,4-dioxane / 50 - 60 °C
View Scheme
2-(3,4-diethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1005009-95-9

2-(3,4-diethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: potassium dihydrogenphosphate / 1,4-dioxane; water / 90 - 100 °C
2: sodium hydroxide / 1,4-dioxane / 50 - 60 °C
View Scheme
1,2-diethoxybenzene
2050-46-6

1,2-diethoxybenzene

3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: zinc(II) chloride / dichloromethane / 1 h / 0 - 20 °C
2.1: sulfur; morpholine / 18 h / 110 - 120 °C
2.2: 8 h / 100 °C
View Scheme
Multi-step reaction with 3 steps
1.1: aluminum (III) chloride / toluene / 0.25 h / -10 - -5 °C
1.2: 1 h / 20 °C
2.1: hydrogenchloride; hydrogen; palladium 10% on activated carbon / ethanol / 15 h / 60 °C
3.1: sodium hydroxide; water / tetrahydrofuran / 50 - 60 °C
View Scheme
2-(3,4-diethoxyphenyl)ethylamine
61381-04-2

2-(3,4-diethoxyphenyl)ethylamine

3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

N-(3,4-diethoxyphenylacetyl)-β-(3,4-diethoxyphenyl)ethylamine
6298-46-0

N-(3,4-diethoxyphenylacetyl)-β-(3,4-diethoxyphenyl)ethylamine

Conditions
ConditionsYield
at 180 - 190℃; Inert atmosphere;95%
at 100 - 120℃; Inert atmosphere;93%
at 180 - 192℃;
3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

2-(3,4-diethoxyphenyl)acetamide
526190-09-0

2-(3,4-diethoxyphenyl)acetamide

Conditions
ConditionsYield
Stage #1: 3,4-diethoxy-phenyl-acetic acid With oxalyl dichloride In dichloromethane; N,N-dimethyl-formamide at 10 - 20℃; for 1h;
Stage #2: With hydroxylamine In tetrahydrofuran at 40 - 50℃; for 1h;		89%
Multi-step reaction with 2 steps
1: thionyl chloride / dichloromethane
2: ammonia / tetrahydrofuran
View Scheme
methyl (2-hydroxyphenyl)acetate
22446-37-3

methyl (2-hydroxyphenyl)acetate

3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

2-(2-methoxy-2-oxoethyl)phenyl 2-(3,4-diethoxyphenyl)acetate
1104307-63-2

2-(2-methoxy-2-oxoethyl)phenyl 2-(3,4-diethoxyphenyl)acetate

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane Reflux;82%
3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

ethyl 2-(2-hydroxyphenyl)acetate
41873-65-8

ethyl 2-(2-hydroxyphenyl)acetate

2-(2-ethoxy-2-oxoethyl)phenyl 2-(3,4-diethoxyphenyl)acetate
1104308-02-2

2-(2-ethoxy-2-oxoethyl)phenyl 2-(3,4-diethoxyphenyl)acetate

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane Reflux;81%
3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

2-(pyrimidin-5-yl)phenol

2-(pyrimidin-5-yl)phenol

2-(pyrimidin-5-yl)phenyl 2-(3,4-diethoxyphenyl)acetate

2-(pyrimidin-5-yl)phenyl 2-(3,4-diethoxyphenyl)acetate

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane; N,N-dimethyl-formamide at 20℃; for 12h; Sealed tube;68%
N,1-dihydroxy-2,3-dihydro-1H-indene-4-carboximidamide
1093827-51-0

N,1-dihydroxy-2,3-dihydro-1H-indene-4-carboximidamide

3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

4-(5-(3,4-diethoxybenzyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ol
1307230-43-8

4-(5-(3,4-diethoxybenzyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ol

Conditions
ConditionsYield
Stage #1: 3,4-diethoxy-phenyl-acetic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃; for 2h;
Stage #2: N,1-dihydroxy-2,3-dihydro-1H-indene-4-carboximidamide In N,N-dimethyl-formamide at 20 - 80℃; for 18h;		62%
(R)-tert-butyl 4-(N-hydroxycarbamimidoyl)-2,3-dihydro-1H-inden-1-ylcarbamate
1306763-32-5

(R)-tert-butyl 4-(N-hydroxycarbamimidoyl)-2,3-dihydro-1H-inden-1-ylcarbamate

3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

(R)-tert-butyl 4-(5-(3,4-diethoxybenzyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylcarbamate
1307231-06-6

(R)-tert-butyl 4-(5-(3,4-diethoxybenzyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-ylcarbamate

Conditions
ConditionsYield
Stage #1: 3,4-diethoxy-phenyl-acetic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃; for 2h;
Stage #2: (R)-tert-butyl 4-(N-hydroxycarbamimidoyl)-2,3-dihydro-1H-inden-1-ylcarbamate In N,N-dimethyl-formamide at 20 - 80℃; for 18h;		58%
3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

4,5-diethoxy-2-nitro-phenylacetic acid
329083-17-2

4,5-diethoxy-2-nitro-phenylacetic acid

Conditions
ConditionsYield
With nitric acid; acetic acid In water at 15 - 40℃; for 0.5h;57%
3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

anthranilic acid
118-92-3

anthranilic acid

2-<(3,4-diethoxyphenyl)methyl>-4H-3,1-benzoxazin-4-one
139355-83-2

2-<(3,4-diethoxyphenyl)methyl>-4H-3,1-benzoxazin-4-one

Conditions
ConditionsYield
With trichlorophosphate for 5h; Heating;6%
3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

3,4-methylenedioxyphenylethylamine
1484-85-1

3,4-methylenedioxyphenylethylamine

(3,4-diethoxy-phenyl)-acetic acid homopiperonylamide

(3,4-diethoxy-phenyl)-acetic acid homopiperonylamide

Conditions
ConditionsYield
at 200℃;
2-(tert-butoxycarbonylamino)-3-phenylpropionic acid
4530-18-1

2-(tert-butoxycarbonylamino)-3-phenylpropionic acid

3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

phenyl isocyanatoformate
5843-43-6

phenyl isocyanatoformate

7-benzyl-1-[3-(3,4-dimethoxy-phenyl)-propyl]-[1,3,5]triazepane-2,4-dione

7-benzyl-1-[3-(3,4-dimethoxy-phenyl)-propyl]-[1,3,5]triazepane-2,4-dione

Conditions
ConditionsYield
Multistep reaction.;
...Expand
3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

ethaverine
486-47-5

ethaverine

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 180 - 192 °C
2: phosphoryl chloride; benzene
3: palladium/charcoal; diisopropylbenzene
View Scheme
3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

1-(3',4'-diethoxy-benzyl)-6,7-diethoxy-3,4-dihydro-isoquinoline
861-27-8

1-(3',4'-diethoxy-benzyl)-6,7-diethoxy-3,4-dihydro-isoquinoline

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 180 - 192 °C
2: phosphoryl chloride; benzene
View Scheme
3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

2-hydroxyresorcinol
87-66-1

2-hydroxyresorcinol

C18H20O6

C18H20O6

Conditions
ConditionsYield
With boron trifluoride diethyl etherate at 80 - 85℃; for 3h;
3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

(3,4-diethoxy-phenyl)-acetyl chloride
139036-00-3

(3,4-diethoxy-phenyl)-acetyl chloride

Conditions
ConditionsYield
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 0℃; for 1h;
With thionyl chloride at 90℃;
With thionyl chloride In dichloromethane
3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

1-(4-chloro-phenyl)-6,7-diethoxy-2-[4-methyl-2-(3-morpholin-4-yl-propoxy)-phenyl]-1,4-dihydro-2H-isoquinolin-3-one trifluoroacetate
1313359-85-1

1-(4-chloro-phenyl)-6,7-diethoxy-2-[4-methyl-2-(3-morpholin-4-yl-propoxy)-phenyl]-1,4-dihydro-2H-isoquinolin-3-one trifluoroacetate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: oxalyl dichloride / N,N-dimethyl-formamide / dichloromethane / 1 h / 0 °C
2: di-tert-butyl-diazodicarboxylate / dichloromethane / 3 h / 20 °C
View Scheme
N-(5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1,3,4-thiadiazol)-2-amine
1152573-49-3

N-(5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1,3,4-thiadiazol)-2-amine

3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

2-(3,4-diethoxyphenyl)-N-(5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1,3,4-thiadiazol-2-yl)acetamide
1338603-28-3

2-(3,4-diethoxyphenyl)-N-(5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1,3,4-thiadiazol-2-yl)acetamide

Conditions
ConditionsYield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane Reflux;
methanol
67-56-1

methanol

3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

methyl 2-(3,4-diethoxyphenyl)acetate
92157-09-0

methyl 2-(3,4-diethoxyphenyl)acetate

Conditions
ConditionsYield
With sulfuric acid Reflux;
3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

C19H20N2O3
1345540-08-0

C19H20N2O3

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: sulfuric acid / Reflux
2.1: tin(ll) chloride / 20 °C
3.1: hydrazine hydrate / ethanol / 3 h / 150 °C
3.2: 0.5 h / Reflux
View Scheme
3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

C19H19ClN2O3
474069-98-2

C19H19ClN2O3

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: sulfuric acid / Reflux
2.1: tin(ll) chloride / 20 °C
3.1: hydrazine hydrate / ethanol / 3 h / 150 °C
3.2: 0.5 h / Reflux
View Scheme
3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

C19H19ClN2O3
1345540-12-6

C19H19ClN2O3

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: sulfuric acid / Reflux
2.1: tin(ll) chloride / 20 °C
3.1: hydrazine hydrate / ethanol / 3 h / 150 °C
3.2: 0.5 h / Reflux
View Scheme
3,4-diethoxy-phenyl-acetic acid
38464-04-9

3,4-diethoxy-phenyl-acetic acid

1-(2-benzo[b]thienyl)-7,8-diethoxy-3,5-dihydro-4H-2,3-benzodiazepin-4-one

1-(2-benzo[b]thienyl)-7,8-diethoxy-3,5-dihydro-4H-2,3-benzodiazepin-4-one

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: sulfuric acid / Reflux
2.1: tin(ll) chloride / 20 °C
3.1: hydrazine hydrate / ethanol / 3 h / 150 °C
3.2: 0.5 h / Reflux
View Scheme

3,4-Diethoxyphenylacetic acid Specification

The Benzeneacetic acid,3,4-diethoxy-, with the CAS registry number 38464-04-9, is also known as 3,4-Diethoxyphenylacetic acid. It belongs to the product categories of Acetics acid and Esters. Its EINECS number is 253-957-3.This chemical's molecular formula is C12H16O4 and formula weight is 224.25. What's more, its IUPAC name is 2-(3,4-diethoxyphenyl)acetic acid. It is irritant.

Physical properties of Benzeneacetic acid,3,4-diethoxy- are: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.13; (4)ACD/LogD (pH 7.4): -0.66; (5)ACD/BCF (pH 5.5): 2.24; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28.74; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 59.98 cm3; (15)Molar Volume: 197.8 cm3; (16)Surface Tension: 40.2 dyne/cm; (17)Density: 1.133 g/cm3; (18)Flash Point: 134.1 °C; (19)Enthalpy of Vaporization: 63.58 kJ/mol; (20)Boiling Point: 357.2 °C at 760 mmHg; (21)Vapour Pressure: 1.01E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC1=C(C=C(C=C1)CC(=O)O)OCC
(2)InChI: InChI=1S/C12H16O4/c1-3-15-10-6-5-9(8-12(13)14)7-11(10)16-4-2/h5-7H,3-4,8H2,1-2H3,(H,13,14)
(3)InChIKey: FIKUHWAANCXBGJ-UHFFFAOYSA-N

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