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Cas Database

Name	2,5-Pyrrolidinedione,1-(1-oxopropoxy)-	EINECS	N/A
CAS No.	30364-55-7	Density	1.31 g/cm³
PSA	63.68000	LogP	-0.05850
Solubility	N/A	Melting Point	44～49℃
Formula	C₇H₉NO₄	Boiling Point	254.3 °C at 760 mmHg
Molecular Weight	171.153	Flash Point	107.6 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Succinimide,N-(propionyloxy)- (8CI);N-(Propionyloxy)succinimide;N-Succinimidyl propionate;1-(Propionyloxy)pyrrolidine-2,5-dione;	Article Data	10

2,5-Pyrrolidinedione,1-(1-oxopropoxy)- Synthetic route

: 6066-82-6
1-hydroxy-pyrrolidine-2,5-dione

: 802294-64-0
propionic acid

: 30364-55-7
succinimidyl propionate

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In tetrahydrofuran at -78 - 20℃; for 3h;	77%
With dicyclohexyl-carbodiimide In 1,4-dioxane	74%
With dicyclohexyl-carbodiimide In tetrahydrofuran at 20℃; Cooling with ice;	60%
With dicyclohexyl-carbodiimide In tetrahydrofuran	20%
With dicyclohexyl-carbodiimide In ethyl acetate at 20℃;

: 6066-82-6
1-hydroxy-pyrrolidine-2,5-dione

: 79-03-8
propionyl chloride

: 30364-55-7
succinimidyl propionate

Conditions

Conditions	Yield
Stage #1: propionyl chloride With triethylamine In tetrahydrofuran Stage #2: 1-hydroxy-pyrrolidine-2,5-dione In tetrahydrofuran at 20℃;	65%
With triethylamine In chloroform at 0 - 20℃; for 1.16667h;	64%
With triethylamine In dichloromethane at 20℃; Cooling with ice;	50%

: 6066-82-6
1-hydroxy-pyrrolidine-2,5-dione

: 123-62-6
propionic acid anhydride

: 30364-55-7
succinimidyl propionate

Conditions

Conditions	Yield
With hydrogenchloride	20%

: (R,R)-N,N-bis[N-(N-{8-[4-diphenylacetylamino-4-(4-hydroxybenzylaminocarbonyl)butyl]amino-(amino)methyleneamino-carbonylamino-3,6-dioxaoctyl}-4-aminocarbonylbenzoyl)-2-aminoethyl]ethane-1,2-diamine tetra(hydrotrifluoroacetate)

: 30364-55-7
succinimidyl propionate

: 76-05-1
trifluoroacetic acid

: 3C2HF3O2*C93H116N18O17

Conditions

Conditions	Yield
Stage #1: (R,R)-N,N-bis[N-(N-{8-[4-diphenylacetylamino-4-(4-hydroxybenzylaminocarbonyl)butyl]amino-(amino)methyleneamino-carbonylamino-3,6-dioxaoctyl}-4-aminocarbonylbenzoyl)-2-aminoethyl]ethane-1,2-diamine tetra(hydrotrifluoroacetate); succinimidyl propionate With triethylamine In N,N-dimethyl-formamide at 60℃; for 0.333333h; Microwave irradiation; Stage #2: trifluoroacetic acid With water In N,N-dimethyl-formamide	98%

Yield

Stage #1: (R,R)-N,N-bis[N-(N-{8-[4-diphenylacetylamino-4-(4-hydroxybenzylaminocarbonyl)butyl]amino-(amino)methyleneamino-carbonylamino-3,6-dioxaoctyl}-4-aminocarbonylbenzoyl)-2-aminoethyl]ethane-1,2-diamine tetra(hydrotrifluoroacetate); succinimidyl propionate With triethylamine In N,N-dimethyl-formamide at 60℃; for 0.333333h; Microwave irradiation;
Stage #2: trifluoroacetic acid With water In N,N-dimethyl-formamide

98%

: 5-(aminomethyl)-N1,N3-bis(2-(3-(1-(4-(1-(2-oxo-2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-5-yl)ethyl)piperidin-4-yl)butyl)-1H-imidazol-4-yl)propanamido)ethyl)isophthalamide pentakis(hydrotrifluoroacetate)

: 30364-55-7
succinimidyl propionate

: 76-05-1
trifluoroacetic acid

: N1,N3-bis(2-(3-(1-(4-(1-(2-oxo-2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-5-yl)ethyl)piperidin-4-yl)butyl)-1H-imidazol-4-yl)propanamido)ethyl)-5-(propionamidomethyl)isophthalamide tetrakis(hydrotrifluoroacetate)

Conditions

Conditions	Yield
Stage #1: 5-(aminomethyl)-N1,N3-bis(2-(3-(1-(4-(1-(2-oxo-2-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-5-yl)ethyl)piperidin-4-yl)butyl)-1H-imidazol-4-yl)propanamido)ethyl)isophthalamide pentakis(hydrotrifluoroacetate); succinimidyl propionate With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; Stage #2: trifluoroacetic acid In water; N,N-dimethyl-formamide	95%

: 30364-55-7
succinimidyl propionate

: C43H75N5O28

: C46H81N3O29

Conditions

Conditions	Yield
With 4-methyl-morpholine In methanol	90%

: H-Arg-{Nω-[N-(8-amino-3,6-dioxaoctyl)aminocarbonyl]}Arg-Pro-Tyr-Ile-Leu-OH tetrakis(hydrotrifluoroacetate)

: 30364-55-7
succinimidyl propionate

: 76-05-1
trifluoroacetic acid

: H-Arg-{Nω-[N-(8-propanoylamino-3,6-dioxaoctyl)-aminocarbonyl]}Arg-Pro-Tyr-Ile-Leu-OH tris(hydrotrifluoroacetate)

Conditions

Conditions	Yield
Stage #1: H-Arg-{Nω-[N-(8-amino-3,6-dioxaoctyl)aminocarbonyl]}Arg-Pro-Tyr-Ile-Leu-OH tetrakis(hydrotrifluoroacetate); succinimidyl propionate With potassium hydrogencarbonate; N-ethyl-N,N-diisopropylamine In water; N,N-dimethyl-formamide at 20℃; for 1.25h; Stage #2: trifluoroacetic acid In water; N,N-dimethyl-formamide	89%

: 5-((4-(4-(2-(2-aminoethylcarbamoyl)guanidin-1-yl)butyl)piperidin-1-yl)acetyl)-5H-dibenzo[b,e][1,4]diazepin-11(10H)-one tris(hydrotrifluoroacetate)

: 30364-55-7
succinimidyl propionate

: 5-((4-(4-(2-(2-propionamidoethylcarbamoyl)guanidin-1-yl)butyl)piperidin-1-yl)acetyl)-5H-dibenzo[b,e][1,4]diazepin-11(10H)-one

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide; acetonitrile at 20℃; for 0.75h;	87%

: H-Asp-{Nω-[N-(8-amino-3,6-dioxaoctyl)aminocarbonyl]}Arg-Val-Tyr-Ile-His-Pro-Phe-OH tetrakis(hydrotrifluoroacetate)

: 30364-55-7
succinimidyl propionate

: 76-05-1
trifluoroacetic acid

: H-Asp-{Nω-[N-(8-propanoylamino-3,6-dioxaoctyl)aminocarbonyl]}-Arg-Val-Tyr-Ile-His-Pro-Phe-OH tris(hydrotrifluoroacetate)

Conditions

Conditions	Yield
Stage #1: H-Asp-{Nω-[N-(8-amino-3,6-dioxaoctyl)aminocarbonyl]}Arg-Val-Tyr-Ile-His-Pro-Phe-OH tetrakis(hydrotrifluoroacetate); succinimidyl propionate With potassium hydrogencarbonate; N-ethyl-N,N-diisopropylamine In water; N,N-dimethyl-formamide at 20℃; for 1.25h; Stage #2: trifluoroacetic acid In water; N,N-dimethyl-formamide	87%

: 30364-55-7
succinimidyl propionate

: 26993-30-6
Sphingosine-1-phosphate

: 1093733-23-3
N-[(1S,2R,3E)-2-hydroxy-1-[(phosphonooxy)methyl]-3-heptadecen-1-yl]-propanamide

Conditions

Conditions	Yield
Stage #1: Sphingosine-1-phosphate With N,O-bis-(trimethylsilyl)-acetamide at 20℃; Stage #2: succinimidyl propionate With dmap; N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; Further stages.;	86%

2,5-Pyrrolidinedione,1-(1-oxopropoxy)- Specification

The 2,5-Pyrrolidinedione,1-(1-oxopropoxy)-, with the CAS registry number 30364-55-7, is also known as N-(Propionyloxy)succinimide. This chemical's molecular formula is C₇H₉NO₄ and molecular weight is 171.15. What's more, its systematic name is 1-(propanoyloxy)pyrrolidine-2,5-dione.

Physical properties of 2,5-Pyrrolidinedione,1-(1-oxopropoxy)- are: (1)ACD/LogP: -1.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.27; (4)ACD/LogD (pH 7.4): -1.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.82; (8)ACD/KOC (pH 7.4): 4.82; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 63.68 Å²; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 38.38 cm³; (15)Molar Volume: 130.2 cm³; (16)Polarizability: 15.21×10^-24cm³; (17)Surface Tension: 48.1 dyne/cm; (18)Density: 1.31 g/cm³; (19)Flash Point: 107.6 °C; (20)Enthalpy of Vaporization: 49.18 kJ/mol; (21)Boiling Point: 254.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0174 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N(OC(=O)CC)C(=O)CC1
(2)InChI: InChI=1S/C7H9NO4/c1-2-7(11)12-8-5(9)3-4-6(8)10/h2-4H2,1H3
(3)InChIKey: AASBXERNXVFUEJ-UHFFFAOYSA-N

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