Cas no 1218790-23-8 (tert-butyl 6-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate)

Tert-butyl 6-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate is a boronic ester derivative of a protected indole scaffold, commonly employed in Suzuki-Miyaura cross-coupling reactions. The tert-butyl carbamate group enhances stability, while the cyano substituent offers versatility for further functionalization. The pinacol boronate moiety facilitates efficient palladium-catalyzed couplings with aryl or vinyl halides, making it valuable in medicinal chemistry and materials science. Its crystalline nature ensures ease of handling and storage. This compound is particularly useful in constructing complex heterocyclic systems, enabling the synthesis of pharmaceuticals, agrochemicals, and advanced organic materials with high precision.
tert-butyl 6-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate structure
1218790-23-8 structure
Product Name:tert-butyl 6-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate
CAS No:1218790-23-8
MF:C20H25BN2O4
MW:368.234505414963
MDL:MFCD15143605
CID:857396
PubChem ID:53217198
Update Time:2025-10-18

tert-butyl 6-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 1-BOC-6-CYANOINDOLE-3-BORONIC ACID, PINACOL ESTER
    • tert-Butyl 6-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
    • tert-butyl 6-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate
    • MFCD15143605
    • SY039651
    • tert-Butyl6-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
    • SCHEMBL14816592
    • 1218790-23-8
    • (1-Boc-6-cyano-1H-indol-3-yl)boronic acid pinacol ester
    • AKOS015999324
    • 1-BOC-6-CYANOINDOLE-3-BORONIC ACID PINACOL ESTER
    • tert-butyl 6-cyano-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-indole-1-carboxylate
    • CS-0048163
    • DB-084717
    • AS-53338
    • DTXSID50682299
    • YDIXOIZBVRXBQH-UHFFFAOYSA-N
    • 1H-Indole-1-carboxylic acid, 6-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
    • P16345
    • PB39933
    • MDL： MFCD15143605
    • Inchi： 1S/C20H25BN2O4/c1-18(2,3)25-17(24)23-12-15(14-9-8-13(11-22)10-16(14)23)21-26-19(4,5)20(6,7)27-21/h8-10,12H,1-7H3
    • InChI Key： YDIXOIZBVRXBQH-UHFFFAOYSA-N
    • SMILES： O1B(C2=CN(C(=O)OC(C)(C)C)C3C=C(C#N)C=CC2=3)OC(C)(C)C1(C)C

Computed Properties

  • Exact Mass: 368.19100
  • Monoisotopic Mass: 368.1907374g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 4
  • Complexity: 632
  • 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: 73.5?2

Experimental Properties

  • PSA: 73.48000
  • LogP: 3.59538

tert-butyl 6-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-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-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Matrix Scientific
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tert-Butyl 6-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate, 95+%
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Matrix Scientific
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SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd.
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tert-Butyl 6-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
 1218790-23-8 97%
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SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd.
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tert-Butyl 6-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
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SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd.
BD230089-1g
tert-Butyl 6-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
 1218790-23-8 97%
1g
 ￥2699.0 2022-03-01
SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd.
BD230089-5g
tert-Butyl 6-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
 1218790-23-8 97%
5g
 ￥8100 2021-08-03
TRC
B201438-25mg
1-BOC-6-cyanoindole-3-boronic acid, pinacol ester
 1218790-23-8
25mg
 $ 69.00 2023-04-19

tert-butyl 6-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate Related Literature

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