3,3-Diethoxy-propionic acid supplier

Name
3,3-Diethoxy-propionic acid
EINECS
CAS No. 6191-97-5
Article Data21
CAS DataBase
Density 1.068 g/cm³
Solubility
Melting Point
Formula C₇H₁₄O₄
Boiling Point 236.7 °C at 760 mmHg
Molecular Weight 162.186
Flash Point 89.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,3-diethoxypropanoic acid;
PSA 55.76000
LogP 0.86020

Synthetic route

: 10601-80-6
ethyl 3,3-diethoxypropanoate

: 6191-97-5
3,3-diethoxypropanoic acid

Conditions

Conditions	Yield
With sodium hydroxide In water for 0.75h; Reflux;	97%
Stage #1: ethyl 3,3-diethoxypropanoate With water; sodium hydroxide at 100℃; for 1h; Stage #2: With hydrogenchloride In water	96%
Stage #1: ethyl 3,3-diethoxypropanoate With sodium hydroxide In water at 100℃; for 1h; Stage #2: With hydrogenchloride In water	96%

: 3,3-diethoxy-N-(quinolin-8-yl)propanamide

: 6191-97-5
3,3-diethoxypropanoic acid

Conditions

Conditions	Yield
Stage #1: 3,3-diethoxy-N-(quinolin-8-yl)propanamide With dmap; di-tert-butyl dicarbonate In tetrahydrofuran at 60℃; for 0.25h; Sealed tube; Stage #2: With potassium hydroxide In tetrahydrofuran; water at 60℃; for 0.0833333h; Sealed tube;	85%

: 623-47-2
propynoic acid ethyl ester

: 6191-97-5
3,3-diethoxypropanoic acid

Conditions

Conditions	Yield
With sodium ethanolate In ethanol for 48h; Ambient temperature;

: 83124-74-7
4-ethoxy-1,1,1-trichloro-3-buten-2-one

: 6191-97-5
3,3-diethoxypropanoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: potassium carbonate / 17 h / 0 - 20 °C / Inert atmosphere 2: sodium hydroxide; water / 2 h / 85 °C View Scheme

: 6191-97-5
3,3-diethoxypropanoic acid

: 6191-99-7, 99471-66-6
(2E)-3-ethoxyprop-2-enoyl chloride

Conditions

Conditions	Yield
With thionyl chloride at 80℃; for 1.25h;	98%
With thionyl chloride at 0 - 80℃; for 1h;

: 6191-97-5
3,3-diethoxypropanoic acid

: 1035455-32-3
C21H44O3Si

: 1035455-17-4
C28H56O6Si

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 3h;	97%

: 6191-97-5
3,3-diethoxypropanoic acid

: (5R,6S,7S)-5-(4-(3-(benzyloxy)phenyl)butyl)-3,3-diethyl-6,10,10,13,13,14,14-heptamethyl-9-oxo-4,12-dioxa-3,13-disilapentadecan-7-yl (R)-4-(benzyloxy)-3-hydroxybutanoate

: (5R,6S,7S)-5-(4-(3-(benzyloxy)phenyl)butyl)-3,3-diethyl-6,10,10,13,13,14,14-heptamethyl-9-oxo-4,12-dioxa-3,13-disilapentadecan-7-yl (R)-4-(benzyloxy)-3-((3,3-diethoxypropanoyl)oxy)butanoate

Conditions

Conditions	Yield
Stage #1: 3,3-diethoxypropanoic acid With triethylamine In toluene at 20℃; for 2h; Stage #2: (5R,6S,7S)-5-(4-(3-(benzyloxy)phenyl)butyl)-3,3-diethyl-6,10,10,13,13,14,14-heptamethyl-9-oxo-4,12-dioxa-3,13-disilapentadecan-7-yl (R)-4-(benzyloxy)-3-hydroxybutanoate With dmap In toluene at 20℃; for 2.5h;	90%

: 6191-97-5
3,3-diethoxypropanoic acid

: C24H44O3Si

: C31H56O6Si

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0℃; for 6h; Inert atmosphere;	85%

: 6191-97-5
3,3-diethoxypropanoic acid

: 62-53-3
aniline

: 3,3-diethoxy-N-(benzene)propanamide

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0 - 20℃; for 16.5h;	75%

: 6191-97-5
3,3-diethoxypropanoic acid

: 6191-99-7
3-ethoxyacryloyl chloride

Conditions

Conditions	Yield
With thionyl chloride at 80℃; for 1.66667h; Cooling with ice;	73%
With thionyl chloride at 80℃; for 1.66667h;	73%
With thionyl chloride at 80℃; for 1.66667h; Cooling with ice;	73%

: 6191-97-5
3,3-diethoxypropanoic acid

: 3,3-diethoxypropanoic anhydride

Conditions

Conditions	Yield
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0℃; Inert atmosphere;	71%

: 6191-97-5
3,3-diethoxypropanoic acid

: 203186-02-1
4-[2-(4-bromophenyl)-1,3-dioxolan-2-yl]-piperidine

: 1304776-63-3
C21H30BrNO5

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride	66%

: 6191-97-5
3,3-diethoxypropanoic acid

: 95-53-4
o-toluidine

: 3,3-diethoxy-N-(o-tolyl)propanamide

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0 - 20℃; for 16.5h;	66%

: 6191-97-5
3,3-diethoxypropanoic acid

: 64-17-5
ethanol

Conditions

Conditions	Yield
With hydrogenchloride In water at 250℃; under 37503.8 Torr; for 1h; Sealed tube; Inert atmosphere;	57%

: 6191-97-5
3,3-diethoxypropanoic acid

: 2-((4-(trifluoromethyl)phenyl)amino)benzohydrazide

: N’-(3,3-diethoxypropanoyl)-2-[4-(trifluoromethyl)anilino]benzohydrazide

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 25℃; for 16h;	55.7%

: 355129-22-5
4-(4-amino-2,6-dibromophenoxy)-2-isopropylphenol

: 6191-97-5
3,3-diethoxypropanoic acid

: 1376615-85-8
N-(4-(4-hydroxy-3-isopropylphenoxy)-3,5-dibromophenyl)-3,3-diethoxypropanamide

Conditions

Conditions	Yield
Stage #1: 4-(4-amino-2,6-dibromophenoxy)-2-isopropylphenol With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 0.5h; Stage #2: 3,3-diethoxypropanoic acid With potassium carbonate In N,N-dimethyl-formamide at 20℃;	15%
Stage #1: 4-(4-amino-2,6-dibromophenoxy)-2-isopropylphenol With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 0.5h; Stage #2: 3,3-diethoxypropanoic acid With potassium carbonate In N,N-dimethyl-formamide at 20℃;	15%

: 163068-05-1
3-(trifluoroacetyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-amine

: 6191-97-5
3,3-diethoxypropanoic acid

: 76-05-1
trifluoroacetic acid

: 1241839-17-7
7,8,9,10-tetrahydro-6H-azepino[4,5-g]quinolin-2(1H)-one trifluoroacetate

Conditions

Conditions	Yield
Stage #1: 3-(trifluoroacetyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-amine; 3,3-diethoxypropanoic acid With dicyclohexyl-carbodiimide In dichloromethane at 20 - 40℃; for 13h; Stage #2: With trifluoroacetic acid at 20℃; for 2h; Stage #3: trifluoroacetic acid	5%

...Expand

: 6191-97-5
3,3-diethoxypropanoic acid

: 3,3-diethoxypropanoyl chloride

Conditions

Conditions	Yield
With oxalyl dichloride In dichloromethane for 2h; Heating;
With thionyl chloride

: 455-14-1
4-trifluoromethylphenylamine

: 6191-97-5
3,3-diethoxypropanoic acid

: (2E)-3-ethoxy-N-(4-trifluoromethylphenyl)prop-2-enamide

Conditions

Conditions	Yield
Stage #1: 3,3-diethoxypropanoic acid With thionyl chloride at 80℃; for 1h; Stage #2: 4-trifluoromethylphenylamine With pyridine In dichloromethane at 20℃;

: 6191-97-5
3,3-diethoxypropanoic acid

: 6373-50-8
p-cyclohexylaniline

: 1025975-45-4
N-(4-cyclohexyl-phenyl)-3-ethoxy-acrylamide

Conditions

Conditions	Yield
Stage #1: 3,3-diethoxypropanoic acid With thionyl chloride at 80℃; for 1h; Stage #2: p-cyclohexylaniline With pyridine In dichloromethane at 20℃;

: 6191-97-5
3,3-diethoxypropanoic acid

A: 6191-99-7, 99471-66-6
(2E)-3-ethoxyprop-2-enoyl chloride

B: 3,3-diethoxypropanoyl chloride

Conditions

Conditions	Yield
With thionyl chloride at 80℃; for 1h; Title compound not separated from byproducts;

: 6191-97-5
3,3-diethoxypropanoic acid

: 108-42-9
3-chloro-aniline

: 445041-60-1
(E)-N-(3-chlorophenyl)-3-ethoxypropenamide

Conditions

Conditions	Yield
Stage #1: 3,3-diethoxypropanoic acid With thionyl chloride at 80℃; for 1h; Stage #2: 3-chloro-aniline With pyridine In dichloromethane at 20℃;

: 6191-97-5
3,3-diethoxypropanoic acid

: 626-43-7
3,5-Dichloroaniline

: N-(3,5-dichloro-phenyl)-3-ethoxy-acrylamide

Conditions

Conditions	Yield
Stage #1: 3,3-diethoxypropanoic acid With thionyl chloride at 80℃; for 1h; Stage #2: 3,5-Dichloroaniline With pyridine In dichloromethane at 20℃;

: 6191-97-5
3,3-diethoxypropanoic acid

: 106-40-1
4-bromo-aniline

: 327058-51-5
(E)-N-(4-bromophenyl)-3-ethoxyacrylamide

Conditions

Conditions	Yield
Stage #1: 3,3-diethoxypropanoic acid With thionyl chloride at 80℃; for 1h; Stage #2: 4-bromo-aniline With pyridine In dichloromethane at 20℃;

: 6191-97-5
3,3-diethoxypropanoic acid

: tert-butyl N'-[3-(3,3-diethoxypropionylamino)quinolin-4-yl]hydrazinecarboxylate

Conditions

Conditions	Yield
Stage #1: N'-(3-aminoquinolin-4-yl)hydrazine tert-butyl carboxylate With 4-methyl-morpholine; dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In pyridine Stage #2: 3,3-diethoxypropanoic acid In pyridine at 0 - 20℃; for 15h;

: 6191-97-5
3,3-diethoxypropanoic acid

: 1-diazo-4,4-diethoxy-2-butanone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: oxalyl chloride / CH2Cl2 / 2 h / Heating 2: diethyl ether / 1 h / -50 - 20 °C View Scheme

: 6191-97-5
3,3-diethoxypropanoic acid

: 106-40-1
4-bromo-aniline

: 914918-89-1
C13H18BrNO3

Conditions

Conditions	Yield
With benzotriazol-1-ol; dicyclohexyl-carbodiimide In dichloromethane at 0℃; for 5h; Heating / reflux;

: 6191-97-5
3,3-diethoxypropanoic acid

: 87-63-8
2-chloro-6-methylaniline

: 1044209-24-6
C14H20ClNO3

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃;
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃;

: 6191-97-5
3,3-diethoxypropanoic acid

: 98-16-8
3-trifluoromethylaniline

: 1044209-20-2
C14H18F3NO3

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃;
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃;

: 6191-97-5
3,3-diethoxypropanoic acid

: 867-44-7
S-Methylisothiourea sulfate

: 73781-88-1
ethyl 2-(methylthio)pyrimidine-5-carboxylate

Conditions

Conditions	Yield
Stage #1: 3,3-diethoxypropanoic acid With sodium hydride; formic acid ethyl ester In diethyl ether; ethanol at 0 - 20℃; for 15h; Stage #2: S-Methylisothiourea sulfate With sodium acetate In N,N-dimethyl-formamide at 85℃; for 48h;

: 6191-97-5
3,3-diethoxypropanoic acid

: 1304776-65-5
C23H34BrNO4

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride 2: titanium(IV) isopropylate / tetrahydrofuran; diethyl ether View Scheme

3,3-Diethoxy-propionic acid Specification

The 3,3-Diethoxy-propionic acid is an organic compound with the formula C₇H₁₄O₄. The systematic name of this chemical is 3,3-Diethoxypropanoic acid. With the CAS registry number 6191-97-5, it is also named as Propanoic acid, 3,3-diethoxy-. Besides, its molecular weight is 162.1837.

Physical properties about 3,3-Diethoxy-propionic acid are: (1)ACD/LogP: 1.27; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 2.61; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 44.76 Å²; (10)Index of Refraction: 1.433; (11)Molar Refractivity: 39.49 cm³; (12)Molar Volume: 151.8 cm³; (13)Polarizability: 15.65×10^-24 cm³; (14)Surface Tension: 34.9 dyne/cm; (15)Density: 1.068 g/cm³; (16)Flash Point: 89.3 °C; (17)Enthalpy of Vaporization: 52.15 kJ/mol; (18)Boiling Point: 236.7 °C at 760 mmHg; (19)Vapour Pressure: 0.016 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H14O4/c1-3-10-7(11-4-2)5-6(8)9/h7H,3-5H2,1-2H3,(H,8,9)
(2)InChIKey: AKTDHHFJFNIILG-UHFFFAOYAK
(3)Std. InChI: InChI=1S/C7H14O4/c1-3-10-7(11-4-2)5-6(8)9/h7H,3-5H2,1-2H3,(H,8,9)
(4)Std. InChIKey: AKTDHHFJFNIILG-UHFFFAOYSA-N

Product Name

3,3-Diethoxy-propionic acid

Synthetic route

3,3-Diethoxy-propionic acid Specification

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