Cas no 83942-10-3 (4,5-Dichloro-6-methylpyrimidine)

4,5-Dichloro-6-methylpyrimidine structure
83942-10-3 structure
Product Name:4,5-Dichloro-6-methylpyrimidine
CAS No:83942-10-3
MF:C5H4Cl2N2
MW:163.004658699036
MDL:MFCD09909763
CID:838780
PubChem ID:11789537
Update Time:2024-10-26

4,5-Dichloro-6-methylpyrimidine Chemical and Physical Properties

Names and Identifiers

    • 4,5-Dichloro-6-methylpyrimidine
    • 4,5-Dichloro-6-methylpyrimidine (ACI)
    • 4,5-dichloro-6-methyl-pyrimidine
    • AB54870
    • Pyrimidine, 4,5-dichloro-6-methyl-
    • MFCD09909763
    • SIUNBOQRQYAIJI-UHFFFAOYSA-N
    • GS-5849
    • J-514084
    • 4 pound not5-Dichloro-6-methylpyrimidine
    • DTXSID60472764
    • CS-W019331
    • AKOS006314305
    • SCHEMBL3706204
    • DA-21976
    • 4,5-Dichloro-6-methylpyrimidine, 95%
    • 83942-10-3
    • MDL: MFCD09909763
    • Inchi: 1S/C5H4Cl2N2/c1-3-4(6)5(7)9-2-8-3/h2H,1H3
    • InChI Key: SIUNBOQRQYAIJI-UHFFFAOYSA-N
    • SMILES: ClC1C(Cl)=C(C)N=CN=1

Computed Properties

  • Exact Mass: 161.97500
  • Monoisotopic Mass: 161.9751535g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 99
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 25.8?2

Experimental Properties

  • Boiling Point: 242.6±35.0℃ at 760 mmHg
  • PSA: 25.78000
  • LogP: 2.09180

4,5-Dichloro-6-methylpyrimidine Customs Data

  • HS CODE:2933599090
  • Customs Data:

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4,5-Dichloro-6-methylpyrimidine Pricemore >>

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4,5-Dichloro-6-methylpyrimidine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium methoxide Solvents: Methanol ;  -5 °C; 1 h, -5 °C; -5 °C → rt; 24 h, rt; 0.5 h, reflux; reflux → rt
1.2 Reagents: Acetic acid ;  rt
2.1 Reagents: Phosphorus oxychloride ;  3 h, rt → reflux
Reference
Synthesis and bioactivity of diflumetorim
Yang, Fan; et al, Nongyao, 2013, 52(12), 868-870

Production Method 2

Reaction Conditions
1.1 Reagents: Hydrochloric acid ,  Hydrogen peroxide
1.2 Reagents: Phosphorus oxychloride
Reference
Studies on pyrimidine derivatives. XXXIX. Site-selectivity in the reaction of 5-substituted and 4,5-disubstituted pyrimidine N-oxides with trimethylsilyl cyanide
Yamanaka, Hiroshi; et al, Chemical & Pharmaceutical Bulletin, 1987, 35(8), 3119-26

Production Method 3

Reaction Conditions
1.1 Reagents: Sulfuryl chloride Solvents: Dichloromethane ;  -5 - 0 °C; 10 h, -5 - 0 °C
2.1 Reagents: Sodium methoxide Solvents: Methanol ;  30 min, rt
2.2 -5 - 0 °C; 3 h, 0 °C → reflux
3.1 Reagents: Triethylamine ,  Phosphorus oxychloride Solvents: Toluene ;  12 h, -5 - 0 °C
3.2 Solvents: Water ;  0 °C
3.3 Reagents: Potassium carbonate ;  basified
Reference
Design, synthesis, insecticidal, and acaricidal activities of novel pyrimidinamine derivatives containing a biphenyl ether
Li, Lizhong ; et al, Journal of Heterocyclic Chemistry, 2019, 56(12), 3206-3214

Production Method 4

Reaction Conditions
1.1 Reagents: Thionyl chloride Solvents: Carbon tetrachloride ;  0 °C; overnight, rt
2.1 Reagents: Sodium methoxide Solvents: Methanol ;  -5 °C; 1 h, -5 °C; -5 °C → rt; 24 h, rt; 0.5 h, reflux; reflux → rt
2.2 Reagents: Acetic acid ;  rt
3.1 Reagents: Phosphorus oxychloride ;  3 h, rt → reflux
Reference
Synthesis and bioactivity of diflumetorim
Yang, Fan; et al, Nongyao, 2013, 52(12), 868-870

4,5-Dichloro-6-methylpyrimidine Raw materials

4,5-Dichloro-6-methylpyrimidine Preparation Products

4,5-Dichloro-6-methylpyrimidine Related Literature

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