4,6-dichloro-5-(2,2-diethoxyethyl)Pyrimidine

Base Information

• Chemical Name: 4,6-dichloro-5-(2,2-diethoxyethyl)Pyrimidine
• CAS No.: 14052-82-5
• Molecular Formula: C10H14Cl2N2O2
• Molecular Weight: 265.139
• DSSTox Substance ID: DTXSID70599996
• Wikidata: Q82495960
• Mol file: 14052-82-5.mol

Synonyms:4,6-dichloro-5-(2,2-diethoxyethyl)Pyrimidine;14052-82-5;Pyrimidine, 4,6-dichloro-5-(2,2-diethoxyethyl)-;5-Pyrimidineacetaldehyde, 4,6-dichloro-, diethyl acetal (8CI);SCHEMBL1795269;DTXSID70599996;NXUNPWLNJCHHHM-UHFFFAOYSA-N;MFCD11520449;SB58894;DA-18176;A937500

Chemical Property of 4,6-dichloro-5-(2,2-diethoxyethyl)Pyrimidine

Chemical Property:

• Vapor Pressure: 0.000657mmHg at 25°C
• Boiling Point: 318.8oC at 760 mmHg
• PKA: -4.03±0.26(Predicted)
• Flash Point: 146.6oC
• PSA: 44.24000
• Density: 1.252g/cm3
• LogP: 2.72500
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 264.0432331
• Heavy Atom Count: 16
• Complexity: 182

Purity/Quality:

99% ^*data from raw suppliers

4,6-Dichloro-5-(2,2-diethoxyethyl)pyrimidine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(CC1=C(N=CN=C1Cl)Cl)OCC

Technology Process of 4,6-dichloro-5-(2,2-diethoxyethyl)Pyrimidine

There total 7 articles about 4,6-dichloro-5-(2,2-diethoxyethyl)Pyrimidine 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: 96.0%

ethanol (64-17-5) + 2-(4,6-dichloropyrimidin-5-yl)acetaldehyde (16019-33-3) → 4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidine (14052-82-5)

Guidance literature:

With ammonium chloride; at 85 ℃; for 5h;

Reference yield: 90.0%

orthoformic acid triethyl ester (122-51-0) + 2-(4,6-dichloropyrimidin-5-yl)acetaldehyde (16019-33-3) → 4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidine (14052-82-5)

Guidance literature:

With toluene-4-sulfonic acid; In ethanol; at 40 ℃; for 2h;

DOI:10.1007/s10593-018-2320-0

Reference yield: 88.0%

2-(4,6-dichloropyrimidin-5-yl)acetaldehyde (16019-33-3) → 4,6-dichloro-5-(2,2-diethoxyethyl)pyrimidine (14052-82-5)

Guidance literature:

With ammonium chloride; In ethanol; for 20h; Reflux;

upstream raw materials:

ethanol

2-(4,6-dichloropyrimidin-5-yl)acetaldehyde

5-(prop-2-en-1-yl)pyrimidine-4,6-diol

(2-propenyl)propanedioic acid diethyl ester

Downstream raw materials:

((3S,5S)-5-Benzyloxymethyl-tetrahydro-furan-3-yl)-[6-chloro-5-(2,2-diethoxy-ethyl)-pyrimidin-4-yl]-amine

(+/-)-3-(4-aminoo-1H-pyrrolo<2,3-d>pyrimidin-1-yl)-5-(hydroxymethyl)-(1α,2α,3β,5β)-1,2-cyclopentanediol

(1R,2S,3R,5R)-3-((6-chloro-5-(2,2-diethoxyethyl)pyrimidin-4-yl)amino)-5-(hydroxymethyl)cyclopentane-1,2-diol

C₁₄H₈ClFN₄

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