4,6-Dimethylpyrimidin-2-ol hydrochloride

Base Information

• Chemical Name: 4,6-Dimethylpyrimidin-2-ol hydrochloride
• CAS No.: 34289-60-6
• Molecular Formula: C6H9ClN2O
• Molecular Weight: 160.603
• Hs Code.: 2933599090
• European Community (EC) Number: 251-919-0
• UNII: 954294M54S
• DSSTox Substance ID: DTXSID40955848
• NSC Number: 2030
• Wikidata: Q27271735
• Mol file: 34289-60-6.mol

Synonyms:34289-60-6;4,6-dimethylpyrimidin-2-ol hydrochloride;4,6-Dimethyl-2-hydroxypyrimidine hydrochloride;2-Hydroxy-4,6-dimethylpyrimidine hydrochloride;4,6-Dimethyl-2(1H)-pyrimidinone hydrochloride;4,6-Dimethyl-1H-pyrimidin-2-one hydrochloride;4,6-dimethyl-1H-pyrimidin-2-one;hydrochloride;NSC-2030;MFCD00035312;4,6-Dimethyl-2-pyrimidinol Hydrochloride;954294M54S;4,6-Dimethyl-2(1H)-pyrimidinone-13C,15N2Hydrochloride;UNII-954294M54S;EINECS 251-919-0;2(1H)-Pyrimidinone, 4,6-dimethyl-, monohydrochloride;SCHEMBL1644792;4,6-Dimethylpyrimidin-2-ol HCl;AMY3950;DTXSID40955848;NSC2030;IFXXETYYSLJRNF-UHFFFAOYSA-N;BCP26681;NSC 2030;AKOS000401579;AKOS015951057;CS-W016147;SB57248;4,6-dimethylpyrimidin-2-olhydrochloride;4,6-dimethyl-2-pyrimidone hydrochloride;SY107290;D1823;FT-0617263;NS00089916;7B-070;H10003;4,6-Dimethyl-2-hydroxypyrimidine Hydrochloride??;J-019545;2-Hydroxy-4,6-dimethylpyrimidine hydrochloride, 98%;2-PYRIMIDINOL, 4,6-DIMETHYL-, HYDROCHLORIDE;4,6-Dimethylpyrimidin-2-ol--hydrogen chloride (1/1);Q27271735;2(1H)-PYRIMIDINONE, 4,6-DIMETHYL-, HYDROCHLORIDE (1:1)

Chemical Property of 4,6-Dimethylpyrimidin-2-ol hydrochloride

Chemical Property:

• Appearance/Colour: WHITE TO TAN POWDER, CRYSTALS, CRYSTALLINE POWDER AND/OR CHUNKS
• Vapor Pressure: 5.48E-05mmHg at 25°C
• Melting Point: 260 °C (dec.)(lit.)
• Boiling Point: 314.6 °C at 760 mmHg
• Flash Point: 144 °C
• PSA: 46.01000
• Density: 1.17 g/cm³
• LogP: 1.60100
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Aqueous Base (Slightly), Methanol (Very Slightly)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 160.0403406
• Heavy Atom Count: 10
• Complexity: 203

Purity/Quality:

99% ^*data from raw suppliers

4,6-Dimethyl-2(1H)-pyrimidinoneHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=NC(=O)N1)C.Cl
• Uses: 4,6-DiMethyl-2-hydroxypyriMidine Hydrochloride can be used in the preparation of indolizine compounds for use in antifungal combination therapy. 2-Hydroxy-4,6-dimethylpyrimidine hydrochloride was employed in the stereoselective synthesis of meso-N,N′-dicarbethoxy-2,4-diaminopentane and meso-2,4-diaminopentane.

Technology Process of 4,6-Dimethylpyrimidin-2-ol hydrochloride

There total 4 articles about 4,6-Dimethylpyrimidin-2-ol hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.0%

urea (57-13-6) + acetylacetone (123-54-6,81235-32-7) → 2-oxo-4,6-dimethyl-1,2-dihydropyrimidine hydrochloride (34289-60-6)

Guidance literature:

With hydrogenchloride; In acetone;

DOI:10.1107/S2053229620005525

Reference yield: 90.0%

urea (57-13-6) + acetylacetone (123-54-6,81235-32-7) → 4,6-dimethyl-2-hydroxy-pyrimidine hydrochloride (34289-60-6)

Guidance literature:

With hydrogenchloride; In ethanol; at 90 ℃; for 24h;

DOI:10.1080/07328303.2012.689041

Reference yield: 84.0%

Phosphorous acid 4,6-dimethyl-pyrimidin-2-yl ester diethyl ester (104892-94-6) → diethyl phosphorylchloridite (589-57-1) + 2-oxo-4,6-dimethyl-1,2-dihydropyrimidine hydrochloride (34289-60-6)

Guidance literature:

With hydrogenchloride; In toluene; at 20 ℃; for 2h;

DOI:10.1007/BF00952862

upstream raw materials:

Phosphorous acid 4,6-dimethyl-pyrimidin-2-yl ester diethyl ester

urea

acetylacetone

Downstream raw materials:

2-chloro-4,6-dimethylpyrimidine

Refernces

• 1、 Chojnacki, Jaroslaw,Okuniewski, Andrzej,Rosiak, Damian. "Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl- 2-pyrimido(thio)nium halides". . p. 468 - 475. Retrieved 2020.
• 2、 Trankina,Zavin,Muzafarov. "Oligomerization of organochlorosilanes in the acetylacetone-carbamide system". . . Retrieved 2013.
• 3、 Shao, Yi-Ming,Ma, Xiaohua,Paira, Priyankar,Tan, Aaron,Herr, Deron Raymond,Lim, Kah Leong,Ng, Chee Hoe,Venkatesan, Gopalakrishnan,Klotz, Karl-Norbert,Federico, Stephanie,Spalluto, Giampiero,Cheong, Siew Lee,Chen, Yu Zong,Pastorin, Giorgia. "Discovery of indolylpiperazinylpyrimidines with dual-target profiles at adenosine A2A and dopamine D2 receptors for Parkinson’s disease treatment". . . Retrieved 2018/01/12.