1-Boc-5-chloroindole-3-boronic acid,pinacol ester

CAS

1218790-30-7

Catalog Number

ACM1218790307

Category

Other Products

Molecular Weight

377.7

Molecular Formula

C₁₉H₂₅BClNO₄

MSDS COA Spec Sheet

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Specification

Synonyms

1218790-30-7, tert-Butyl 5-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate, CTK8B6488, MolPort-015-143-948, ANW-53531, AKOS015999329, AK-91920, BD230093, KB-11500, A-3804, 1-BOC-5-chloroindole-3-boronic acid pinacol ester, 1-BOC-5-chloroindole-3-boronic acid, pinacol ester

IUPAC Name

tert-butyl 5-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=C2C=C(C=C3)Cl)C(=O)OC(C)(C)C

InChI Key

MRVFRFXOZGTHHX-UHFFFAOYSA-N

Exact Mass

377.15700

H-Bond Acceptor

H-Bond Donor

Upstream Synthesis Route 1

1048039-49-1
25015-63-8

1218790-30-7

Reference: [1] Bioorganic and Medicinal Chemistry, 2017, vol. 25, # 5, p. 1622 - 1629
[2] European Journal of Organic Chemistry, 2011, # 24, p. 4532 - 4535
[3] European Journal of Organic Chemistry, 2013, # 21, p. 4564 - 4569

Upstream Synthesis Route 2

129822-48-6
73183-34-3

1218790-30-7

Reference: [1] Organometallics, 2014, vol. 33, # 13, p. 3514 - 3522

Upstream Synthesis Route 3

17422-32-1

1218790-30-7

Reference: [1] European Journal of Organic Chemistry, 2011, # 24, p. 4532 - 4535
[2] European Journal of Organic Chemistry, 2013, # 21, p. 4564 - 4569
[3] Bioorganic and Medicinal Chemistry, 2017, vol. 25, # 5, p. 1622 - 1629

Upstream Synthesis Route 4

1048039-49-1
25015-63-8

1218790-30-7

Reference: [1]Bioorganic and Medicinal Chemistry,2017,vol. 25,p. 1622 - 1629
[2]European Journal of Organic Chemistry,2011,p. 4532 - 4535
[3]European Journal of Organic Chemistry,2013,p. 4564 - 4569

Upstream Synthesis Route 5

17422-32-1

1218790-30-7

Reference: [1]European Journal of Organic Chemistry,2011,p. 4532 - 4535
[2]European Journal of Organic Chemistry,2013,p. 4564 - 4569
[3]Bioorganic and Medicinal Chemistry,2017,vol. 25,p. 1622 - 1629