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Cas Database

Name	Methyl N,N-dimethylaminoacrylate	EINECS	N/A
CAS No.	999-59-7	Density	0.979 g/cm³
PSA	29.54000	LogP	0.23470
Solubility	N/A	Melting Point	48-49 °C
Formula	C₆H₁₁NO₂	Boiling Point	163.6 °C at 760 mmHg
Molecular Weight	129.159	Flash Point	61.7 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Acrylicacid, 3-(dimethylamino)-, methyl ester (6CI,7CI,8CI);3-(N,N-Dimethylamino)acrylic acid methyl ester;Methyl3-(dimethylamino)acrylate;	Article Data	26

Methyl N,N-dimethylaminoacrylate Synthetic route

: 124-40-3
dimethyl amine

: 922-67-8
propynoic acid methyl ester

: 999-59-7
methyl 3-(N,N-dimethylamino)-2-propenoate

Conditions

Conditions	Yield
In diethyl ether at 20℃; for 1h;	100%
With benzene

: 109-89-7
diethylamine

: 922-67-8
propynoic acid methyl ester

: 999-59-7
methyl 3-(N,N-dimethylamino)-2-propenoate

Conditions

Conditions	Yield
In diethyl ether at 20℃; for 1h;	100%

: 79-20-9
acetic acid methyl ester

: 4637-24-5
N,N-dimethyl-formamide dimethyl acetal

: 999-59-7
methyl 3-(N,N-dimethylamino)-2-propenoate

Conditions

Conditions	Yield
In toluene at 110℃; Inert atmosphere;

: 999-59-7
methyl 3-(N,N-dimethylamino)-2-propenoate

: 622-33-3
N-benzyloxyamine

: 561068-87-9
methyl 3-(benzyloxyimino)propanoate

Conditions

Conditions	Yield
With camphor-10-sulfonic acid In xylene for 24h; Heating;	93%

: 999-59-7
methyl 3-(N,N-dimethylamino)-2-propenoate

: 1241667-97-9
C13H10O3

: methyl 3-acetyl-5-(2-hydroxybenzoyl)benzoate

Conditions

Conditions	Yield
With indium(III) triflate In acetonitrile at 20℃; for 3h; regioselective reaction;	92%

: 999-59-7
methyl 3-(N,N-dimethylamino)-2-propenoate

: 55593-92-5
C13H9ClO4

: dimethyl 5-(5-chloro-2-hydroxybenzoyl)isophthalate

Conditions

Conditions	Yield
With indium(III) triflate In acetonitrile at 20℃; for 3h; regioselective reaction;	86%

: 999-59-7
methyl 3-(N,N-dimethylamino)-2-propenoate

: 17422-74-1
3-Formylchromone

: dimethyl 5-(2-hydroxybenzoyl)isophthalate

Conditions

Conditions	Yield
With indium(III) triflate In acetonitrile at 20℃; for 8h; Catalytic behavior; Reagent/catalyst; Solvent; regioselective reaction;	85%
With indium(III) triflate In acetonitrile at 20℃; for 8h; Catalytic behavior; Reagent/catalyst; Solvent;	85%

: 999-59-7
methyl 3-(N,N-dimethylamino)-2-propenoate

: 42059-80-3
6-nitro-4-oxo-4H-chromene-3-carbaldehyde

: dimethyl 5-(2-hydroxy-5-nitrobenzoyl)isophthalate

Conditions

Conditions	Yield
With indium(III) triflate In acetonitrile at 20℃; for 7h; regioselective reaction;	84%
With indium(III) triflate In acetonitrile at 20℃; for 7h;	84%

: 69155-76-6
6-fluorochromone-3-carboxaldehyde

: 999-59-7
methyl 3-(N,N-dimethylamino)-2-propenoate

: dimethyl 5-(5-fluoro-2-hydroxybenzoyl)isophthalate

Conditions

Conditions	Yield
With indium(III) triflate In acetonitrile at 20℃; for 8h; regioselective reaction;	83%

: 79-36-7
dichloroacethyl chloride

: 999-59-7
methyl 3-(N,N-dimethylamino)-2-propenoate

: methyl 2-dichloroacetyl-3-dimethylaminoacrylate

Conditions

Conditions	Yield
Stage #1: dichloroacethyl chloride; methyl 3-(N,N-dimethylamino)-2-propenoate In toluene at 0 - 20℃; for 0.5h; Stage #2: With sodium hydroxide In water; toluene at 0 - 20℃; for 3 - 3.33333h;	82.3%

Methyl N,N-dimethylaminoacrylate Specification

The 2-Propenoic acid,3-(dimethylamino)-, methyl ester is an organic compound with the formula C₆H₁₁NO₂. The systematic name of this chemical is methyl (2E)-3-(dimethylamino)prop-2-enoate. With the CAS registry number 999-59-7, it is also named as Acrylic acid, 3-(dimethylamino)-, methyl ester.

Physical properties about 2-Propenoic acid,3-(dimethylamino)-, methyl ester are: (1)ACD/LogP: 0.47; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 29.54 Å²; (5)Index of Refraction: 1.449; (6)Molar Refractivity: 35.39 cm³; (7)Molar Volume: 131.9 cm³; (8)Polarizability: 14.03×10^-24cm³; (9)Surface Tension: 29.8 dyne/cm; (10)Density: 0.979 g/cm³; (11)Flash Point: 61.7 °C; (12)Enthalpy of Vaporization: 40.02 kJ/mol; (13)Boiling Point: 163.6 °C at 760 mmHg; (14)Vapour Pressure: 2.05 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-dimethylamino-acrylic acid methyl ester. This reaction will need reagent AsCl₃ and solvent diethyl ether. The reaction temperature is -20 °C. The yield is about 82%.

Uses of 2-Propenoic acid,3-(dimethylamino)-, methyl ester: it can be used to produce 2-dimethylamino-4-oxo-pent-2-enedioic acid dimethyl ester at temperature of 0 °C. It will need reagent Et₃N and solvent diethyl ether. The yield is about 70%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)\C=C\N(C)C
(2)InChI: InChI=1/C6H11NO2/c1-7(2)5-4-6(8)9-3/h4-5H,1-3H3/b5-4+
(3)InChIKey: MVPDNJQLPITPIX-SNAWJCMRBP
(4)Std. InChI: InChI=1S/C6H11NO2/c1-7(2)5-4-6(8)9-3/h4-5H,1-3H3/b5-4+
(5)Std. InChIKey: MVPDNJQLPITPIX-SNAWJCMRSA-N

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