Cas no 882679-40-5 (Methyl 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)benzoate)

Methyl 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)benzoate structure
882679-40-5 structure
Product Name:Methyl 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)benzoate
CAS No:882679-40-5
MF:C15H21BO4
MW:276.135844945908
MDL:MFCD11520530
CID:706838
PubChem ID:53217136
Update Time:2024-10-26

Methyl 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)benzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
    • 5-Methoxycarbonyl-2-methylphenylboronic-acid pinacol ester
    • Benzoic acid, 4-methyl-3- (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
    • 5-Methoxycarbonyl-2-methylphenylboronic acid pinacol ester
    • 5-(Methoxycarbonyl)-2-methylphenylboronic acid pinacol ester
    • AMTB518
    • HAPIXNBOBZHNCA-UHFFFAOYSA-N
    • BCP24698
    • MB09925
    • BC000625
    • AB0009083
    • AM20041300
    • ST24025381
    • A842524
    • 5-(Methoxycarbonyl
    • 4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid methyl ester
    • EN300-303787
    • AKOS015891571
    • DTXSID90682238
    • Dichloroaceticacid
    • 4-(1/4)x>>u-3-(4,4,5,5-EA(1/4)x>>u-1,3,2- paragraph signthornNoOO>>.IiAethIe-2->>u)+/-(1/2)(1/4)xEa(1/4)xo yen
    • Z1947345606
    • CS-0041218
    • MFCD11520530
    • methyl 4-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
    • FT-0704967
    • AS-2552
    • SCHEMBL960031
    • N10591
    • SY104644
    • METHYL4-METHYL-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE
    • 5-(Methoxycarbonyl)-2-methylphenylboronic acid pinacol ester, AldrichCPR
    • 882679-40-5
    • J-522373
    • Methyl 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)benzoate
    • MDL： MFCD11520530
    • Inchi： 1S/C15H21BO4/c1-10-7-8-11(13(17)18-6)9-12(10)16-19-14(2,3)15(4,5)20-16/h7-9H,1-6H3
    • InChI Key： HAPIXNBOBZHNCA-UHFFFAOYSA-N
    • SMILES： O1B(C2C=C(C(=O)OC)C=CC=2C)OC(C)(C)C1(C)C

Computed Properties

  • Exact Mass: 276.15300
  • Monoisotopic Mass: 276.153
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 364
  • 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: 44.8

Experimental Properties

  • PSA: 44.76000
  • LogP: 2.08080

Methyl 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)benzoate Security Information

Methyl 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)benzoate 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 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)benzoate Pricemore >>

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SHANG HAI XIAN DING Biotechnology Co., Ltd.
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Methyl 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)benzoate Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Bis(dibenzylideneacetone)palladium ,  1,1′-Bis(di-tert-butylphosphino)ferrocene Solvents: 1,4-Dioxane ;  1 h, rt
1.2 Reagents: Triethylamine ,  Tetrabutylammonium iodide ;  24 h, 100 °C
Reference
Palladium-catalyzed borylation of aryl arenesulfonates with dialkoxyboranes
Murata, Miki; et al, Chemistry Letters, 2011, 40(9), 962-963

Production Method 2

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: 1,4-Dioxane ;  5 min, 100 °C
1.2 Reagents: Triethylamine ;  12 h, 100 °C
Reference
A benzoboroxole-functionalized monolithic column for the selective enrichment and separation of cis-diol containing biomolecules
Li, Hengye; et al, Chemical Communications (Cambridge, 2012, 48(34), 4115-4117

Production Method 3

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: 1,4-Dioxane ;  20 h, 100 °C
Reference
Discovery of the Potent and Selective M1 PAM-Agonist N-[(3R,4S)-3-Hydroxytetrahydro-2H-pyran-4-yl]-5-methyl-4-[4-(1,3-thiazol-4-yl)benzyl]pyridine-2-carboxamide (PF-06767832): Evaluation of Efficacy and Cholinergic Side Effects
Davoren, Jennifer E.; et al, Journal of Medicinal Chemistry, 2016, 59(13), 6313-6328

Production Method 4

Reaction Conditions
1.1 Catalysts: Platinum, [1,3-bis[2,6-bis(1-methylethyl)phenyl]-2-imidazolidinylidene][1,3-bis(… Solvents: Tris(1-methylethyl)benzene ;  20 h, 120 °C
Reference
C-H borylation by platinum catalysis
Furukawa, Takayuki; et al, Bulletin of the Chemical Society of Japan, 2017, 90(3), 332-342

Production Method 5

Reaction Conditions
1.1 Catalysts: (SP-5-23)-[3,8-Bis[3,5-bis(trifluoromethyl)phenyl]-1,10-phenanthroline-κN1,κN10]… Solvents: Methylcyclohexane ;  20 min, 100 °C
Reference
Iridium-Catalyzed Borylation of Primary Benzylic C-H Bonds without a Directing Group: Scope, Mechanism, and Origins of Selectivity
Larsen, Matthew A.; et al, Journal of the American Chemical Society, 2015, 137(26), 8633-8643

Production Method 6

Reaction Conditions
1.1 Catalysts: Bis[(1,2,5,6-η)-1,5-cyclooctadiene]di-μ-methoxydiiridium ,  4,4′-Bis(1,1-dimethylethyl)-2,2′-bipyridine Solvents: Tetrahydrofuran ;  16 h, 80 °C
2.1 Catalysts: (SP-5-23)-[3,8-Bis[3,5-bis(trifluoromethyl)phenyl]-1,10-phenanthroline-κN1,κN10]… Solvents: Methylcyclohexane ;  20 min, 100 °C
Reference
Iridium-Catalyzed Borylation of Primary Benzylic C-H Bonds without a Directing Group: Scope, Mechanism, and Origins of Selectivity
Larsen, Matthew A.; et al, Journal of the American Chemical Society, 2015, 137(26), 8633-8643

Methyl 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)benzoate Raw materials

Methyl 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)benzoate Preparation Products

Methyl 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)benzoate Related Literature

Related Categories

882679-40-5 (Methyl 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)benzoate) Related Products

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