2-Propenoic acid 2-isocyanatoethyl ester supplier

Name
2-IsocyanatoethylAcrylate
EINECS
CAS No. 13641-96-8
Article Data8
CAS DataBase
Density 1.05g/cm³
Solubility
Melting Point -25 °C
Formula C₆H₇NO₃
Boiling Point 200°Cat760mmHg
Molecular Weight 141.126
Flash Point 86°C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acrylic Acid 2-Isocyanatoethyl Ester;2-Isocyanatoethyl Acrylate;2-(Acryloyloxy)ethyl Isocyanate;2-isocyanatoethyl prop-2-enoate;
PSA 55.73000
LogP 0.05140

Synthetic route

: 98134-34-0
3-chloropropionic acid (2-isocyanatoethyl) ester

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

Conditions

Conditions	Yield
With triethylamine In toluene at 50℃; for 6h; Product distribution / selectivity;	87%
With strongly basic ion-exchange resin In toluene at 50℃; for 6h; not specified; Product distribution / selectivity;	86%
With N,N,N,N,-tetramethylethylenediamine In toluene at 50℃; for 6h; Product distribution / selectivity;	86%

: 2-(N,N-diethylureido)ethyl acrylate

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

Conditions

Conditions	Yield
With hydrogenchloride; 2,6-di-tert-butyl-4-methyl-phenol In 5,5-dimethyl-1,3-cyclohexadiene at 130℃; for 3h;	60.7%

: 2-(methylurea)ethyl acrylate

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

Conditions

Conditions	Yield
With Bu2SnL2 In toluene at 300℃;	20%

: 91-22-5
quinoline

: 98134-34-0
3-chloropropionic acid (2-isocyanatoethyl) ester

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

Conditions

Conditions	Yield
With 9,10-phenanthrenequinone

: 869583-47-1
3-azido-3-oxopropyl acrylate

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

Conditions

Conditions	Yield
In chloroform for 2h; Heating / reflux;
In chloroform for 2h; Heating / reflux;

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

: 3068-76-6
N-phenyl-N-(3-trimethoxysilylpropyl)amine

: 3,3-dimethoxy-8-oxo-7-phenyl-2-oxa-7,9-diaza-3-silaundecan-11-yl acrylate

Conditions

Conditions	Yield
at 45℃;	100%

: (3-(N-ethylamino)isobutyl) trimethoxysilane

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

: 7-ethyl-3,3-dimethoxy-5-methyl-8-oxo-2-oxa-7,9-diaza-3-silaundecan-11-yl acrylate

Conditions

Conditions	Yield
at 65℃;	100%

: 157923-74-5
(4-amino-3,3-dimethylbutyl)trimethoxysilane

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

: 3,3-dimethoxy-6,6-dimethyl-9-oxo-2-oxa-8,10-diaza-3-siladodecan-12-yl acrylate

Conditions

Conditions	Yield
at 75℃;	100%

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

: 3386-18-3
nonaethylene glycol

: 31-hydroxy-4-oxo-5,8,11,14,17,20,23,26,29-nonaoxa-3-azahentriacontyl acrylate

Conditions

Conditions	Yield
With dibutyltin dilaurate; 4-methoxy-phenol In diethyl ether at 40℃; for 12h; Flow reactor;	99.8%
With dibutyltin dilaurate; 4-methoxy-phenol In tetrahydrofuran at 75℃; for 5h;

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

: 920-66-1
1,1,1,3',3',3'-hexafluoro-propanol

: C9H9F6NO4

Conditions

Conditions	Yield
With dibutyltin(II) dilaurate; 10H-phenothiazine at 60℃; for 24h; Temperature; Reagent/catalyst; Inert atmosphere; Green chemistry;	99.7%

: 96-29-7
ethyl methyl ketone oxime

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

: 2-(O-[1'-methylpropylideneamino]carboxyamino)ethyl acrylate

Conditions

Conditions	Yield
With 2,6-di-tert-butyl-4-methyl-phenol at 10 - 20℃; for 6h;	99%
With 2,6-di-tert-butyl-4-methyl-phenol at 10 - 20℃; for 6h; Temperature; Enzymatic reaction;

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

: N,N'-<2-(2-propenoic acid) ethyl ester> urea

Conditions

Conditions	Yield
With water; triethylamine In toluene at 20℃; for 13h;	98%

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

: 91526-18-0
4-hydroxymethyl-5-methyl-[1,3]dioxol-2-one

: 2-[[[(5-methyl-1,3-dioxolen-2-one-4-yl)methoxy]carbonyl]amino]ethyl acrylate

Conditions

Conditions	Yield
With dibutyltin(II) dilaurate; 4-methoxy-phenol at 60 - 80℃;	98%

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

: C23H41N5O8

: 2-((2-(3,5-bis(2-(hexylcarbamoyloxy)ethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl)ethoxy)carbonylamino)ethyl acrylate

Conditions

Conditions	Yield
With dibutyltin dilaurate In tetrahydrofuran at 60℃; for 2h; Inert atmosphere;	97%

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

: 1-((4-bromophenyl)thio)-3-(phenylthio)propan-2-ol

: 2-((((1-((4-bromophenyl)thio)-3-(phenylthio)propan-2-yl)oxy)carbonyl)amino)ethyl acrylate

Conditions

Conditions	Yield
With stannous octoate In ethyl acetate at 60℃; for 16h;	96%

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

: 5395-50-6
1,3,4,6-tetrakis(hydroxymethyl)tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione

: 1,3,4,6-tetrakis(2-acryloyloxyethylcarbamoyloxy)methylglycoluril

Conditions

Conditions	Yield
With dibutyltin dilaurate In dichloromethane at 20℃; for 24h;	95%

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

: 16111-07-2
2-(3',3'-dimethyl-6-nitro-3'H-spiro[chromene-2,2'-indol]-1'-yl)-ethanol

: C26H27N3O7

Conditions

Conditions	Yield
With dibutyltin dilaurate In dichloromethane at 25 - 50℃;	92%

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

: 169169-72-6
4-(9-phenyl-9H-fluorene-9-yl)phenol

: C31H25NO4

Conditions

Conditions	Yield
Stage #1: acrylic acid 2-isocyanatoethyl ester; 4-(9-phenyl-9H-fluorene-9-yl)phenol In ethyl acetate at 70℃; for 3.5h; Stage #2: With dibutyltin dilaurate In ethyl acetate for 2h;	92%

: 67-51-6
3,5-dimethyl-1H-pyrazole

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

: 2-[(3,5-dimethylpyrazolyl)carbonylamino]ethyl acrylate

Conditions

Conditions	Yield
With 2,6-di-tert-butyl-4-methyl-phenol In toluene at 10℃; for 3h;	90%
With 4-methoxy-phenol at 15 - 40℃; for 2.5h; Product distribution / selectivity;

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

: C27H22O2

: C33H29NO5

Conditions

Conditions	Yield
Stage #1: acrylic acid 2-isocyanatoethyl ester; C27H22O2 In ethyl acetate at 75℃; for 8.5h; Stage #2: With dibutyltin dilaurate In ethyl acetate for 5h;	88.6%

: 629-11-8
1,6-hexanediol

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

: C18H28N2O8

Conditions

Conditions	Yield
With 2,6-di-tert-butyl-4-methyl-phenol; 1,8-diazabicyclo[5.4.0]undec-7-ene In ethyl acetate at 55℃; for 2h; Inert atmosphere;	86.7%

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

: 367279-75-2
4,6-bis(1-adamantyl)-1,3-dihydroxybenzene

: C38H48N2O8

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide at 60℃; Inert atmosphere;	86%

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

: C27H30N2O6S

: C39H44N4O12S

Conditions

Conditions	Yield
In N,N-dimethyl-formamide for 8h;	85%

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

: 2509-34-4
3-hydroxypropyltriphenylsilane

: Triphenylsilylpropoxycarbonylaminoethyl Acrylate

Conditions

Conditions	Yield
With dibutyltin(II) dilaurate In hexane; water; ethyl acetate; toluene	81%

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

: 2509-34-4
3-hydroxypropyltriphenylsilane

: 2-({[3-(triphenylsilyl)propoxy]carbonyl}amino)ethyl acrylate

Conditions

Conditions	Yield
With dibutyltin dilaurate In toluene at 70℃; for 6h; Inert atmosphere;	81%

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

: 10303-95-4
1,3-diaminoadamantane

: C22H32N4O6

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 60℃; for 4h; Inert atmosphere;	79%

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

: 2-methoxy-5-((5,6,7-trimethoxychroman-3-yl)-methyl)phenol

: 2-(((2-methoxy-5-((5,6,7-trimethoxychroman-3-yl)methyl)phenoxy)carbonyl)amino)ethyl acrylate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; for 1h;	75%

: 136918-14-4
phthalimide

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

: 2-[(phthalimido)carbonylamino]ethyl acrylate

Conditions

Conditions	Yield
Stage #1: phthalimide With triethylamine In tetrahydrofuran at 20℃; for 0.5h; Stage #2: acrylic acid 2-isocyanatoethyl ester In tetrahydrofuran for 24.5h;	72%

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

: 24324-17-2
9-Fluorenylmethanol

: 909781-41-5
C20H19NO4

Conditions

Conditions	Yield
With 2,6-di-tert-butyl-4-methyl-phenol; dibutyltin dilaurate In benzene for 9h; Heating / reflux;	71%

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

: C27H33N2O2(1+)*C2F6NO4S2(1-)

: C39H47N4O8(1+)*C2F6NO4S2(1-)

Conditions

Conditions	Yield
With dibutyltin(II) dilaurate; 2,6-di-tert-butyl-4-methyl-phenol In tetrahydrofuran-d8; water; ethyl acetate at 20℃; for 24h;	71%

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

: bis(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)disulfide

: C30H50N4O8S2

Conditions

Conditions	Yield
With dibutyltin dilaurate In N,N-dimethyl acetamide at 20℃; for 5h;	71%

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

: 141-43-5
ethanolamine

: 62796-29-6
rhodamine B sulfonyl chloride

: C35H42N4O10S2

Conditions

Conditions	Yield
Stage #1: ethanolamine; rhodamine B sulfonyl chloride With dmap; triethylamine In dichloromethane at 0 - 20℃; for 15h; Inert atmosphere; Stage #2: acrylic acid 2-isocyanatoethyl ester With dibutyltin dilaurate In dichloromethane at 0 - 20℃; for 5h; Inert atmosphere;	70%

...Expand

: C24H56O12Si4

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

: C48H84N4O24Si4

Conditions

Conditions	Yield
With 2,6-di-tert-butyl-4-methyl-phenol; dioctyltin(IV) oxide In ethyl acetate at 80℃; for 5h; Inert atmosphere;	68.7%

: 13641-96-8
acrylic acid 2-isocyanatoethyl ester

: 2-(1-benzyl-5-(6-methylpyridin-2-yl)-1H-1,2,3-triazol-4-yl)ethan-1-ol

: 2-(((2-(1-benzyl-4-(6-methylpyridin-2-yl)-1H-1,2,3-triazol-5-yl)ethoxy)carbonyl)amino)ethyl acrylate

Conditions

Conditions	Yield
With dibutyltin dilaurate In dichloromethane at 20℃; for 48h; Inert atmosphere;	62.7%

2-Propenoic acid 2-isocyanatoethyl ester Chemical Properties

Molecular Structure of 2-Propenoic acid 2-isocyanatoethyl ester (CAS No.13641-96-8):

Molecular Formula: C₆H₇NO₃
Molecular Weight: 141.12
CAS No: 13641-96-8
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 5
Polar Surface Area: 55.73 Å²
Index of Refraction: 1.452
Molar Refractivity: 36.15 cm³
Molar Volume: 133.8 cm³
Surface Tension: 36.3 dyne/cm
Density: 1.05 g/cm³
Flash Point: 86 °C
Enthalpy of Vaporization: 43.62 kJ/mol
Boiling Point: 200 °C at 760 mmHg
Vapour Pressure: 0.331 mmHg at 25°C
IUPAC Name: 2-Isocyanatoethyl prop-2-enoate
Canonical SMILES: C=CC(=O)OCCN=C=O
InChI: InChI=1S/C₆H₇NO₃/c1-2-6(9)10-4-3-7-5-8/h2H,1,3-4H2
InChIKey: DPNXHTDWGGVXID-UHFFFAOYSA-N

2-Propenoic acid 2-isocyanatoethyl ester Specification

2-Propenoic acid 2-isocyanatoethyl ester (CAS No.13641-96-8), it also can be called 2-Isocyanatoethyl 2-propenoate .

Product Name

2-IsocyanatoethylAcrylate

Synthetic route

2-Propenoic acid 2-isocyanatoethyl ester Chemical Properties

2-Propenoic acid 2-isocyanatoethyl ester Specification

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