Cas no 85929-94-8 (5-Bromo-2-tert-butylpyrimidine)

5-Bromo-2-tert-butylpyrimidine structure
85929-94-8 structure
Product Name:5-Bromo-2-tert-butylpyrimidine
CAS No:85929-94-8
MF:C8H11BrN2
MW:215.090340852737
MDL:MFCD00235040
CID:720068
PubChem ID:87560010
Update Time:2024-10-26

5-Bromo-2-tert-butylpyrimidine Chemical and Physical Properties

Names and Identifiers

    • 5-Bromo-2-tert-butylpyrimidine
    • 2-tert-Butyl-5-bromopyrimidine
    • Pyrimidine,5-bromo-2-(1,1-dimethylethyl)-
    • 5-BROMO-2-(TERT-BUTYL)PYRIMIDINE
    • Pyrimidine, 5-bromo-2-(1,1-dimethylethyl)-
    • FAAQGONYZKWBKC-UHFFFAOYSA-N
    • 3398AC
    • TRA0070064
    • FCH1324660
    • LS20586
    • AB05297
    • 5-bromo-2-(1,1-dimethylethyl)pyrimidine
    • 5-Bromo-2-tert-butylpyrimidine, AldrichCPR
    • AX8078673
    • ST24044457
    • B3079
    • Pyrimidine,5-bromo-2-
    • 5-Bromo-2-(1,1-dimethylethyl)pyrimidine (ACI)
    • 2-(1,1-Dimethylethyl)-5-bromopyrimidine
    • MDL： MFCD00235040
    • Inchi： 1S/C8H11BrN2/c1-8(2,3)7-10-4-6(9)5-11-7/h4-5H,1-3H3
    • InChI Key： FAAQGONYZKWBKC-UHFFFAOYSA-N
    • SMILES： BrC1C=NC(C(C)(C)C)=NC=1

Computed Properties

  • Exact Mass: 214.01100
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 123
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.6

Experimental Properties

  • Color/Form: Uncertain
  • Melting Point: 51.0 to 55.0 deg-C
  • Boiling Point: 90°C/3mmHg(lit.)
  • PSA: 25.78000
  • LogP: 2.53660
  • Solubility: Not determined

5-Bromo-2-tert-butylpyrimidine Security Information

5-Bromo-2-tert-butylpyrimidine 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%

5-Bromo-2-tert-butylpyrimidine Pricemore >>

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5-Bromo-2-tert-butylpyrimidine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium acetate ,  Bromine Solvents: Acetic acid
Reference
Synthesis of 2-tert-butyl-5-hydroxypyrimidine via hydrolysis of 2-tert-butyl-5-halopyrimidines
Pews, Richard Garth, Heterocycles, 1990, 31(1), 109-14

Production Method 2

Reaction Conditions
1.1 Reagents: Ammonia
2.1 -
3.1 -
Reference
Cyclopropanecarboxylic acid derivatives
, United Kingdom, , ,

Production Method 3

Reaction Conditions
Reference
Cyclopropanecarboxylic acid derivatives
, United Kingdom, , ,

Production Method 4

Reaction Conditions
Reference
Cyclopropanecarboxylic acid derivatives
, United Kingdom, , ,

Production Method 5

Reaction Conditions
1.1 Reagents: Sodium methoxide Solvents: Methanol
2.1 Reagents: Sodium acetate ,  Bromine Solvents: Acetic acid
Reference
Synthesis of 2-tert-butyl-5-hydroxypyrimidine via hydrolysis of 2-tert-butyl-5-halopyrimidines
Pews, Richard Garth, Heterocycles, 1990, 31(1), 109-14

Production Method 6

Reaction Conditions
1.1 -
2.1 Reagents: Ammonia
3.1 -
4.1 -
Reference
Cyclopropanecarboxylic acid derivatives
, United Kingdom, , ,

5-Bromo-2-tert-butylpyrimidine Raw materials

5-Bromo-2-tert-butylpyrimidine Preparation Products

5-Bromo-2-tert-butylpyrimidine Related Literature

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85929-94-8 (5-Bromo-2-tert-butylpyrimidine) Related Products

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