CAS No.354112-08-6,N,N-DIBOC-4-AMINO-6-CHLOROPYRIMIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	354112-08-6
Name:	N,N-DIBOC-4-AMINO-6-CHLOROPYRIMIDINE
Article Data:	8

Formula:	C₁₄H₂₀ClN₃O₄
Molecular Weight:	329.783
Synonyms:	Imidodicarbonicacid, (6-chloro-4-pyrimidinyl)-, bis(1,1-dimethylethyl) ester (9CI);Di-tert-butyl (6-chloropyrimidin-4-yl)imidodicarbonate;
Density:	1.244 g/cm³
Boiling Point:	407.3 °C at 760 mmHg
Flash Point:	200.1 °C
PSA:	81.62000
LogP:	3.80660

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Specification

The CAS registry number of Imidodicarbonicacid,2-(6-chloro-4-pyrimidinyl)-,1,3-bis(1,1-dimethylethyl) ester is 354112-08-6. The systematic name is Di-tert-butyl (6-chloropyrimidin-4-yl)imidodicarbonate. In addition, the molecular formula is C₁₄H₂₀ClN₃O₄ and the molecular weight is 329.78. What's more, it should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 2.34; (2)ACD/LogD (pH 5.5): 2.34; (3)ACD/LogD (pH 7.4): 2.34; (4)ACD/BCF (pH 5.5): 35.55; (5)ACD/BCF (pH 7.4): 35.55; (6)ACD/KOC (pH 5.5): 448.41; (7)ACD/KOC (pH 7.4): 448.41; (8)#H bond acceptors: 7; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 81.62 Å²; (11)Index of Refraction: 1.532; (12)Molar Refractivity: 82.18 cm³; (13)Molar Volume: 264.9 cm³; (14)Polarizability: 32.58 ×10^-24cm³; (15)Surface Tension: 46.3 dyne/cm; (16)Density: 1.244 g/cm³; (17)Flash Point: 200.1 °C; (18)Enthalpy of Vaporization: 65.91 kJ/mol; (19)Boiling Point: 407.3 °C at 760 mmHg; (20)Vapour Pressure: 7.64E-07 mmHg at 25°C.

Preparation of Imidodicarbonicacid,2-(6-chloro-4-pyrimidinyl)-,1,3-bis(1,1-dimethylethyl) ester: it can be prepared by 6-chloro-pyrimidin-4-ylamine and di-tert-butyl dicarbonate. This reaction will need reagent DMAP and solvent acetonitrile. The reaction time is 23 hours at reaction temperature of 20 °C. The yield is about 79%.

Imidodicarbonicacid,2-(6-chloro-4-pyrimidinyl)-,1,3-bis(1,1-dimethylethyl) ester can be prepared by 6-chloro-pyrimidin-4-ylamine and di-tert-butyl dicarbonate

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N(c1cc(ncn1)Cl)C(=O)OC(C)(C)C
(2)InChI: InChI=1/C14H20ClN3O4/c1-13(2,3)21-11(19)18(12(20)22-14(4,5)6)10-7-9(15)16-8-17-10/h7-8H,1-6H3
(3)InChIKey: LTXDXOMHOOIKAB-UHFFFAOYAE