Cas no 900503-08-4 (tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate)

tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate structure
900503-08-4 structure
Product Name:tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
CAS No:900503-08-4
MF:C18H30BNO4
MW:335.246105670929
MDL:MFCD22380007
CID:69405
PubChem ID:53393373
Update Time:2024-10-26

tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-3-ene-8-carboxylate
    • 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid 1,1-dimethylethyl ester
    • 8-AZABICYCLO[3.2.1]OCT-2-ENE-8-CARBOXYLIC ACID, 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 1,1-DIMETHYLETHYL EST...
    • 8-Boc-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene
    • 8-Boc-8-azabicyclo[3.2.1]oct-2-ene-3-boronic acid pinacol ester
    • 3-(4,4,5,5-etramethyl-1,3,2-dioxaborolan-2-yl)-8-aza-bicyclo[3.2.1]oct-2-ene-8-carboxylic acid tert-butyl ester
    • tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
    • tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]octa-2-en-8-carboxylate
    • 8-boc-8-azabicyclo[3.2.1]oct-3-ene-3-boronic acid pinacol ester
    • JNHGCLCLMOCPCQ-UHFFFAOYSA-N
    • C18H30BNO4
    • DT
    • 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid tert-butyl ester
    • tert-Butyl 3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
    • 3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-8-aza-bicyclo[3.2.1]oct-2-ene-8-carboxylic acid tert-butyl ester
    • 8-(tert-Butoxy)carbonyl-8-azabicyclo[3.2.1]oct-2-ene-3-boronic acid pinacol ester
    • AKOS015920427
    • 8-Boc-8-azabicyclo[3.2.1]oct-3-ene-3-boronic acid, pinacol ester
    • 900503-08-4
    • EN300-392660
    • BCP17625
    • DB-078584
    • tert-butyl 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
    • 3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid tert-butyl ester
    • AC-31786
    • Z1741982130
    • MFCD22380007
    • DS-13739
    • SY078182
    • (8-(TERT-BUTOXYCARBONYL)-8-AZABICYCLO[3.2.1]OCT-2-EN-3-YL)BORONIC ACID PINACOL ESTER
    • CS-W008880
    • DTXSID50693885
    • SB20059
    • AKOS015904388
    • SCHEMBL30262
    • Tert-Butyl3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-3-ene-8-carboxylate
    • AKOS032947373
    • 8-Boc-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-8-aza-bicyclo[3.2.1]oct-2-ene
    • N-BOC-8-Azabicyclo[3.2.1]oct-2-ene-2-boronic acid, pinacol ester
    • MDL： MFCD22380007
    • Inchi： 1S/C18H30BNO4/c1-16(2,3)22-15(21)20-13-8-9-14(20)11-12(10-13)19-23-17(4,5)18(6,7)24-19/h10,13-14H,8-9,11H2,1-7H3
    • InChI Key： JNHGCLCLMOCPCQ-UHFFFAOYSA-N
    • SMILES： O=C(N1C2CCC1C=C(C2)B1OC(C)(C)C(C)(C)O1)OC(C)(C)C

Computed Properties

  • Exact Mass: 335.22700
  • Monoisotopic Mass: 335.227
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 3
  • Complexity: 548
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 48

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.08
  • Melting Point: No data available
  • Boiling Point: No data available
  • Flash Point: No data available
  • Refractive Index: 1.507
  • PSA: 48.00000
  • LogP: 3.65390
  • Vapor Pressure: No data available

tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate Security Information

tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate Customs Data

  • HS CODE：2934999090
  • Customs Data：

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. 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

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate Pricemore >>

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Chemenu
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tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
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tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
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 900503-08-4 95%
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ChemScence
CS-W008880-250mg
8-Azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
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tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: 1,1-Bis(diphenylphosphino)ferrocene ,  [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: 1,4-Dioxane ;  20 min, rt; 8 - 10 h, 80 °C
Reference
Convenient preparation of aryl-substituted nortropanes by Suzuki-Miyaura methodology
Ghosh, Shyamali; Kinney, William A.; Gauthier, Diane A.; Lawson, Edward C.; Hudlicky, Tomas; et al, Canadian Journal of Chemistry, 2006, 84(4), 555-560

Production Method 2

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: 1,4-Dioxane ;  20 min, 120 °C
Reference
Orally active ghrelin receptor inverse agonists and their actions on a rat obesity model
Takahashi, Bitoku ; Funami, Hideaki; Iwaki, Takehiko; Maruoka, Hiroshi; Shibata, Makoto; et al, Bioorganic & Medicinal Chemistry, 2015, 23(15), 4792-4803

tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate Raw materials

tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate Preparation Products

tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate Related Literature

900503-08-4 (tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate) Related Products

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