Cas no 957065-99-5 (methyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate)

methyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate structure
957065-99-5 structure
Product Name:methyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate
CAS No:957065-99-5
MF:C13H18BNO4
MW:263.097323894501
MDL:MFCD08063051
CID:802769
PubChem ID:46738663
Update Time:2024-10-25

methyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate
    • 2-(Methylcarboxy)pyridine-5-boronic acid
    • 2-(Methylcarboxy)pyridine-5-boronic acid pinacol ester
    • 2-Methoxycarbonyl-5-pyridineboronic acid, pinacol ester
    • 2-Pyridinecarboxylicacid, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
    • 6-Methoxycarbonylpyridine-3-boronic acid pinacol ester
    • methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate
    • 2-(Methoxycarbonyl)pyridine-
    • 5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine-2-carboxylic acid methyl ester
    • 6-(Methoxycarbonyl)pyridine-3-boronic acid pinacol ester
    • methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinecarboxylate
    • methyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate
    • (6-(METHOXYCARBONYL)PYRIDIN-3-YL)BORONIC ACID PINACOL
    • 5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridine-2-carboxylic acid methyl ester
    • SY078557
    • DB-080328
    • 2-(METHYLCARBOXY)PYRIDINE...
    • AS-33589
    • IXKFGVRURWXXKX-UHFFFAOYSA-N
    • MFCD08063051
    • Methyl pyridine-5-boronic acid pinacol ester-2-carboxylate
    • methyl 5-(hydroxy(3-hydroxy-2,3-dimethylbutan-2-yloxy)boryl)picolinate
    • 957065-99-5
    • PB10506
    • SCHEMBL1083587
    • 6-(Methylcarboxy)pyridine-3-boronic acid pinacol ester
    • 2-(Methoxycarbonyl)pyridine-5-boronic acid pinacol ester
    • AKOS015949375
    • J-506464
    • 5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridine-2-carboxylicacid methyl ester
    • Methyl5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinate
    • EN300-722367
    • 2-Methoxycarbonyl-5-pyridineboronic acid pinacol ester
    • CS-0058615
    • Z2037320179
    • (6-(METHOXYCARBONYL)PYRIDIN-3-YL)BORONIC ACID PINACOL ESTER
    • DTXSID60674322
    • MDL: MFCD08063051
    • Inchi: 1S/C13H18BNO4/c1-12(2)13(3,4)19-14(18-12)9-6-7-10(15-8-9)11(16)17-5/h6-8H,1-5H3
    • InChI Key: IXKFGVRURWXXKX-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(B2OC(C)(C)C(C)(C)O2)=CN=1)OC

Computed Properties

  • Exact Mass: 263.13300
  • Monoisotopic Mass: 263.133
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 343
  • 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: 57.6

Experimental Properties

  • Density: 1.12
  • Boiling Point: 383.9 °C at 760 mmHg
  • Flash Point: 186 °C
  • PSA: 57.65000
  • LogP: 1.16740

methyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-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%

methyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate Pricemore >>

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methyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: 1,4-Dioxane ;  rt → 80 °C; 2 h, 80 °C
Reference
Nitrogen-containing heterocyclic compound, preparation method therefor, intermediate thereof, and application thereof
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Catalysts: Palladium diacetate ,  Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: 1,4-Dioxane ;  3 h, 90 °C
Reference
Synthesis of complement inhibitors and therapeutic uses
, World Intellectual Property Organization, , ,

Production Method 3

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: 1,4-Dioxane ;  3 h, 90 °C
Reference
Small molecule compound as efficient and specific JAK kinase inhibitor
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Production Method 4

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: 1,4-Dioxane ;  rt; 6 h, 80 - 90 °C; 90 °C → rt
Reference
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Production Method 5

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: Dimethyl sulfoxide ;  16 h, 100 °C; 100 °C → rt
Reference
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methyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate Raw materials

methyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxylate Preparation Products

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