Cas no 865245-32-5 (tert-butyl 6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydropyridine-1-carboxylate)

tert-butyl 6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydropyridine-1-carboxylate structure
865245-32-5 structure
Product Name:tert-butyl 6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydropyridine-1-carboxylate
CAS No:865245-32-5
MF:C16H28BNO4
MW:309.208825111389
MDL:MFCD07776601
CID:69091
PubChem ID:11695251
Update Time:2024-10-26

tert-butyl 6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydropyridine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyridine-1(2H)-carboxylate
    • 3,4-Dihydro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1(2H)-pyridinecarboxylic acid tert butyl ester
    • 1-BOC-6-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-1,2,3,4-TETRAHYDROPYRIDINE
    • tert-butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate
    • tert-butyl 6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydropyridine-1-carboxylate
    • N-BOC-3,4-DIHYDROPYRIDINE-6-BORONIC ACID PINACOL ESTER
    • (1-(TERT-BUTOXYCARBONYL)-1,4,5,6-TETRAHYDROPYRIDIN-2-YL)BORONIC ACID PINACOL ESTER
    • 6-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-3,4-DIHYDRO-2H-PYRIDINE-1-CARB
    • 1,1-Dimethylethyl 3,4-dihydro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1(2H)-pyridinecarboxylate (ACI)
    • DTXSID80470767
    • Tert-butyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-4H-pyridine-1-carboxylate
    • tert-Butyl6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyridine-1(2H)-carboxylate
    • EN300-208388
    • 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
    • DB-076676
    • AKOS016000253
    • AS-42896
    • SY031919
    • AB42366
    • MFCD07776601
    • 865245-32-5
    • CS-0048170
    • 6-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-3,4-DIHYDRO-2H-PYRIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
    • 1-Boc-1,4,5,6-tetrahydropyridine-2-boronic Acid Pinacol Ester
    • MDL： MFCD07776601
    • Inchi： 1S/C16H28BNO4/c1-14(2,3)20-13(19)18-11-9-8-10-12(18)17-21-15(4,5)16(6,7)22-17/h10H,8-9,11H2,1-7H3
    • InChI Key： LEQQJEMLERIVAW-UHFFFAOYSA-N
    • SMILES： O=C(N1CCCC=C1B1OC(C)(C)C(C)(C)O1)OC(C)(C)C

Computed Properties

  • Exact Mass: 309.21100
  • Monoisotopic Mass: 309.2111385g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 3
  • Complexity: 463
  • 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: 48

Experimental Properties

  • Density: 1.05
  • Boiling Point: 355.2℃ at 760 mmHg
  • Flash Point: 355.192 °C at 760 mmHg
  • Refractive Index: 1.488
  • PSA: 48.00000
  • LogP: 3.47050

tert-butyl 6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydropyridine-1-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 6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydropyridine-1-carboxylate Pricemore >>

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tert-butyl 6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydropyridine-1-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium bis(trimethylsilyl)amide Solvents: Toluene ,  Tetrahydrofuran ;  rt → -78 °C
1.2 Solvents: Tetrahydrofuran ;  1.5 h, -78 °C
1.3 Solvents: Tetrahydrofuran ;  -78 °C; 1 h, -78 °C; 1 h, -78 °C → rt
2.1 Reagents: Potassium carbonate Catalysts: Triphenylphosphine ,  Dichlorobis(triphenylphosphine)palladium Solvents: 1,4-Dioxane ;  7 h, rt → 90 °C
Reference
Preparation and Suzuki-Miyaura Coupling Reactions of Tetrahydropyridine-2-boronic Acid Pinacol Esters
Occhiato, Ernesto G.; et al, Journal of Organic Chemistry, 2005, 70(18), 7324-7330

Production Method 2

Reaction Conditions
1.1 Reagents: Potassium carbonate Catalysts: Triphenylphosphine ,  Dichlorobis(triphenylphosphine)palladium Solvents: 1,4-Dioxane ;  7 h, rt → 90 °C
Reference
Preparation and Suzuki-Miyaura Coupling Reactions of Tetrahydropyridine-2-boronic Acid Pinacol Esters
Occhiato, Ernesto G.; et al, Journal of Organic Chemistry, 2005, 70(18), 7324-7330

Production Method 3

Reaction Conditions
1.1 Reagents: Sodium tert-butoxide Catalysts: Cuprous chloride ,  1,1′-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis[1,1-diphenylphosphine] Solvents: Methanol ,  Toluene ;  rt; rt
Reference
Catalytic asymmetric hydrogenation of (Z)-α-dehydroamido boronate esters: direct route to alkyl-substituted α-amidoboronic esters
Lou, Yazhou; et al, Chemical Science, 2020, 11(3), 851-855

Production Method 4

Reaction Conditions
1.1 Reagents: Triethylamine Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: 1,4-Dioxane ;  2 h, rt → 50 °C
Reference
Preparation and Suzuki-Miyaura Coupling Reactions of Tetrahydropyridine-2-boronic Acid Pinacol Esters
Occhiato, Ernesto G.; et al, Journal of Organic Chemistry, 2005, 70(18), 7324-7330

Production Method 5

Reaction Conditions
1.1 Reagents: Potassium bis(trimethylsilyl)amide Solvents: Toluene ,  Tetrahydrofuran ;  rt → -78 °C
1.2 Solvents: Tetrahydrofuran ;  1.5 h, -78 °C
1.3 Solvents: Tetrahydrofuran ;  -78 °C; 1 h, -78 °C; 1 h, -78 °C → rt
2.1 Reagents: Triethylamine Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: 1,4-Dioxane ;  2 h, rt → 50 °C
Reference
Preparation and Suzuki-Miyaura Coupling Reactions of Tetrahydropyridine-2-boronic Acid Pinacol Esters
Occhiato, Ernesto G.; et al, Journal of Organic Chemistry, 2005, 70(18), 7324-7330

tert-butyl 6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydropyridine-1-carboxylate Raw materials

tert-butyl 6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydropyridine-1-carboxylate Preparation Products

tert-butyl 6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydropyridine-1-carboxylate Related Literature

Related Categories

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