Related articles - 1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone(DMPU): a better space-demanding solvent
- 1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone (CAS no. 7226-23-5), also called N,N'-dimethylpropyleneurea or DMPU, is a p....
- Nov 14，2019
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| | 1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone Basic information |
| Product Name: | 1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone | | Synonyms: | 1,3-dimethyl-perhydro-2-pyrimidinone;1,3-dimethyl-tetrahydro-pyrimidin-2-one;n,n’-dimethyltrimethyleneurea;tetrahydro-1,3-dimethyl-2(1h)pyrimidine;tetrahydro-1,3-dimethyl-2(1h)-pyrimidinon;1,3-Dimethyl-2-oxohexahydropyrimidine;1,3-Dimethyltetrahydropyrimidin-2(1H)-one;DMPUN,N'-DiMethylpropyleneurea | | CAS: | 7226-23-5 | | MF: | C6H12N2O | | MW: | 128.17 | | EINECS: | 230-625-6 | | Product Categories: | Aliskiren;bc0001;7226-23-5 | | Mol File: | 7226-23-5.mol |  |
| | 1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone Chemical Properties |
| Melting point | -20 °C | | Boiling point | 146 °C44 mm Hg(lit.) | | density | 1.06 g/mL at 25 °C(lit.) | | vapor pressure | 0.5 hPa (57 °C) | | refractive index | n20/D 1.488(lit.) | | Fp | 121 °C | | storage temp. | Store below +30°C. | | solubility | Chloroform (Slightly), Ethyl Acetate (Slightly) | | pka | -0.65±0.20(Predicted) | | form | Liquid | | color | Clear colorless to slightly yellow | | PH | 11 (100g/l, H2O, 20℃) | | explosive limit | 1.6-9.3%(V) | | Water Solubility | soluble | | Sensitive | Hygroscopic | | BRN | 110562 | | Dielectric constant | 36.119999999999997 | | Stability: | Hygroscopic | | Major Application | peptide synthesis | | InChI | 1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3 | | InChIKey | GUVUOGQBMYCBQP-UHFFFAOYSA-N | | SMILES | CN1CCCN(C)C1=O | | LogP | 0.05 at 25℃ | | CAS DataBase Reference | 7226-23-5(CAS DataBase Reference) | | EPA Substance Registry System | 2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl- (7226-23-5) |
| Hazard Codes | Xn | | Risk Statements | 22-36-43-62-41 | | Safety Statements | 23-26-36/37/39-45 | | WGK Germany | 2 | | RTECS | UW7582500 | | F | 3-10 | | Autoignition Temperature | 255 °C | | TSCA | TSCA listed | | HS Code | 29335995 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Acute Tox. 4 Oral
Eye Dam. 1
Repr. 2 | | Toxicity | LD50 orally in Rabbit: 1770 mg/kg |
| | 1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone Usage And Synthesis |
| Chemical Properties | 1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone is clear colorless to slightly yellowish liquid | | Uses | 1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone is a versatile organic solvent in and less toxic than HMPA. It is mainly applied in the synthesis of pharmaceuticals and agrochemicals. DMPU is also used in the electronics industry. | | Uses | 1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone is a versatile solvent used in the N-alkylation of chiral and O-alkylation of aldoses. It is involved in the preparation of poly(aryl ethers). It is a cyclic urea and used as a polar aprotic organic solvent. Further, it reacts with trifluoro-methanesulfonic acid anhydride to prepare 2,2'-oxy-bis(1,3-dimethyl-tetrahydropyrimidinium) bis(trifluoromethanesulfonate). | | Uses | Versatile solvent employed in N-alkylation of chiral, primary amines, O-alkylation of aldoses, and in the synthesis of poly(aryl ethers). | | Flammability and Explosibility | Non flammable | | Synthesis | The general procedure for the synthesis of N,N-dimethylpropenyl urea and compounds (CAS:96690-06-1) from carbon dioxide, 1,3-dichloropropane and monomethylamine was as follows: 1.24 g of aqueous 1,3-dichloropropane and 5.15 g of a 40% aqueous solution of methylamine were added to a pressure vessel made of 20 mL of SUS316. At a pressure of about 0.5 MPa, 1.95 g of carbon dioxide gas was passed into the vessel. Subsequently, the reaction mixture was reacted at a constant temperature at 120°C for 2 hours. At the end of the reaction, 3-methyl-1,3-oxazin-2-one was obtained in 15% yield, as well as 1,3-dimethyltetrahydropyrimidin-2(1H)-one in 64% yield. | | References | [1] Patent: US2005/154200, 2005, A1. Location in patent: Page/Page column 4 |
| | 1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone Preparation Products And Raw materials |
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