Cas no 951884-36-9 (5-Bromo-4-ethylpyrimidine)

5-Bromo-4-ethylpyrimidine structure
5-Bromo-4-ethylpyrimidine structure
Product Name:5-Bromo-4-ethylpyrimidine
CAS No:951884-36-9
MF:C6H7BrN2
MW:187.037180185318
MDL:MFCD09800935
CID:796921
PubChem ID:26369999
Update Time:2024-10-25

5-Bromo-4-ethylpyrimidine Chemical and Physical Properties

Names and Identifiers

    • 5-bromo-4-ethylpyrimidine
    • Pyrimidine, 5-bromo-4-ethyl-
    • 5-bromanyl-4-ethyl-pyrimidine
    • 5-bromo-4-ethyl-pyrimidine
    • Pyrimidine,5-bromo-4-ethyl
    • AK105597
    • MYEMCVSVGGPJRP-UHFFFAOYSA-N
    • FCH921665
    • OR11580
    • AX8250298
    • AB0049925
    • V9538
    • ST24044490
    • A845220
    • 5-Bromo-4-ethylpyrimidine (ACI)
    • PS-3474
    • 951884-36-9
    • BNB88436
    • CS-0152480
    • SY271974
    • MFCD09800935
    • DTXSID70650036
    • AKOS006344735
    • SCHEMBL8176256
    • EN300-1273378
    • J-517088
    • SB55499
    • F13814
    • 5-Bromo-4-ethylpyrimidine
    • MDL: MFCD09800935
    • Inchi: 1S/C6H7BrN2/c1-2-6-5(7)3-8-4-9-6/h3-4H,2H2,1H3
    • InChI Key: MYEMCVSVGGPJRP-UHFFFAOYSA-N
    • SMILES: BrC1=CN=CN=C1CC

Computed Properties

  • Exact Mass: 185.97900
  • Monoisotopic Mass: 185.979
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 87.1
  • 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
  • Topological Polar Surface Area: 25.8
  • XLogP3: 1.7

Experimental Properties

  • PSA: 25.78000
  • LogP: 1.80150

5-Bromo-4-ethylpyrimidine 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%

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5-Bromo-4-ethylpyrimidine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Tosylhydrazine Solvents: Methyl chloride ;  rt → 90 °C; 16 h, 90 °C
1.2 Reagents: Sodium carbonate Solvents: Water ;  2 h, 90 °C
Reference
Preparation of triazolopyridine compounds useful in the treatment of diseases or disorders mediated by EED and/or PRC2
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium carbonate Solvents: Water ;  reflux; 2 h, reflux
Reference
Pharmaceutical intermediate (4-(1,1-difluoroethyl)pyrimidin-5-yl)methanamine hydrochloride and preparation method thereof
, China, , ,

Production Method 3

Reaction Conditions
1.1 Reagents: Magnesium ,  Iodine Solvents: 2-Methyltetrahydrofuran ;  rt; 0 °C
1.2 Solvents: 2-Methyltetrahydrofuran ;  0 °C; 0 °C → rt; 0.5 - 1 h, rt
1.3 Reagents: Acetic acid
1.4 Reagents: Permanganic acid (HMnO4), potassium salt (1:1) Solvents: Water ;  8 - 12 h, 0 °C
1.5 Reagents: Hydrochloric acid Solvents: Water
Reference
A process for preparing 4-substituted-5-bromopyrimidines
, China, , ,

5-Bromo-4-ethylpyrimidine Raw materials

5-Bromo-4-ethylpyrimidine Preparation Products

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