CAS No.3027-05-2,N,N'-Diacetylglycine anhydride Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3027-05-2
Name:	N,N'-Diacetylglycine anhydride
Article Data:	32

Formula:	C₈H₁₀N₂O₄
Molecular Weight:	198.178
Synonyms:	2,5-Piperazinedione, 1,4-diacetyl-;1,4-Diacetyl-piperazine-2,5-dione;
Density:	1.375 g/cm³
Melting Point:	99-100 °C
Boiling Point:	424.4 °C at 760 mmHg
Flash Point:	216.6 °C
Hazard Symbols:	Xn
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	74.76000
LogP:	-1.37400

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Specification

The IUPAC name of N,N'-Diacetylglycine anhydride is 1,4-diacetylpiperazine-2,5-dione. With the CAS registry number 3027-05-2, it is also named as 2,5-Piperazinedione, 1,4-diacetyl-. Besides, it should be stored in sealed, cool and dry place. In addition, its molecular formula is C₈H₁₀N₂O₄ and molecular weight is 198.18.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.8; (4)ACD/LogD (pH 7.4): -0.8; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.8; (8)ACD/KOC (pH 7.4): 8.8; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 74.76 Å²; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 44.25 cm³; (15)Molar Volume: 144 cm³; (16)Polarizability: 17.54×10^-24cm³; (17)Surface Tension: 56 dyne/cm; (18)Density: 1.375 g/cm³; (19)Flash Point: 216.6 °C; (20)Melting Point: 99-100 °C; (21)Enthalpy of Vaporization: 67.89 kJ/mol; (22)Boiling Point: 424.4 °C at 760 mmHg; (23)Vapour Pressure: 2.07E-07 mmHg at 25 °C.

Preparation of N,N'-Diacetylglycine anhydride: this chemical can be prepared by Piperazine-2,5-dione and Acetic acid anhydride.

This reaction will occur by heating for 7 hours. The yield is 88 %.

Uses of N,N'-Diacetylglycine anhydride: it can react with Pyridine-2-carbaldehyde to get 3,6-Di(2-pyridylmethylidene)piperazine-2,5-dione.

This reaction needs Triethylamine and Dimethylformamide at temperature of 25 °C for overnight. The yield is 85 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C1N(C(=O)C)CC(=O)N(C(=O)C)C1
(2)InChI: InChI=1/C8H10N2O4/c1-5(11)9-3-8(14)10(6(2)12)4-7(9)13/h3-4H2,1-2H3
(3)InChIKey: CBBKKVPJPRZOCM-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C8H10N2O4/c1-5(11)9-3-8(14)10(6(2)12)4-7(9)13/h3-4H2,1-2H3
(5)Std. InChIKey: CBBKKVPJPRZOCM-UHFFFAOYSA-N