2-Methylindazole-6-boronic acid pinacol ester

CAS

1204580-79-9

Catalog Number

ACM1204580799

Category

Other Products

Molecular Weight

258.1

Molecular Formula

C₁₄H₁₉BN₂O₂

MSDS COA Spec Sheet

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Specification

Synonyms

1204580-79-9, 2-METHYLINDAZOLE-6-BORONIC ACID PINACOL ESTER, 2-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole, SureCN5137400, CTK6I2192, ANW-55857, AKOS005258520, AG-C-78427, OR30598, PB32939, RP06298, AK-55975, KB-25530, FT-0685543, X1658, 2-Methylindazole-6-boronic acid pinacol ester,, A-5409, A804510, 2-Methyl-2H-indazole-6-boronic acid, pinacol ester, 2-METHYL-1H-INDAZOLE-6-BORONIC ACID PINACOL ESTER

IUPAC Name

2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC3=NN(C=C3C=C2)C

InChI Key

VHMKRODPCQSCKW-UHFFFAOYSA-N

Exact Mass

258.15400

H-Bond Acceptor

H-Bond Donor

Downstream Synthesis Route 1

1956328-30-5
1204580-79-9

2009273-68-9

Reference: [1]Current Patent Assignee: ROCHE HOLDING AG - US2016/272588, 2016, A1
Location in patent: Paragraph 0353; 0359
[2]Kategaya, Lorna; Di Lello, Paola; Rougé, Lionel; Pastor, Richard; Clark, Kevin R.; Drummond, Jason; Kleinheinz, Tracy; Lin, Eva; Upton, John-Paul; Prakash, Sumit; Heideker, Johanna; McCleland, Mark; Ritorto, Maria Stella; Alessi, Dario R.; Trost, Matthias; Bainbridge, Travis W.; Kwok, Michael C. M.; Ma, Taylur P.; Stiffler, Zachary; Brasher, Bradley; Tang, Yinyan; Jaishankar, Priyadarshini; Hearn, Brian R.; Renslo, Adam R.; Arkin, Michelle R.; Cohen, Frederick; Yu, Kebing; Peale, Frank; Gnad, Florian; Chang, Matthew T.; Klijn, Christiaan; Blackwood, Elizabeth; Martin, Scott E.; Forrest, William F.; Ernst, James A.; Ndubaku, Chudi; Wang, Xiaojing; Beresini, Maureen H.; Tsui, Vickie; Schwerdtfeger, Carsten; Blake, Robert A.; Murray, Jeremy; Maurer, Till; Wertz, Ingrid E.
[Nature, 2017, vol. 550, # 7677, p. 534 - 538]
[3]Di Lello, Paola; Pastor, Richard; Murray, Jeremy M.; Blake, Robert A.; Cohen, Frederick; Crawford, Terry D.; Drobnick, Joy; Drummond, Jason; Kategaya, Lorna; Kleinheinz, Tracy; Maurer, Till; Rougé, Lionel; Zhao, Xianrui; Wertz, Ingrid; Ndubaku, Chudi; Tsui, Vickie
[Journal of Medicinal Chemistry, 2017, vol. 60, # 24, p. 10056 - 10070]

Downstream Synthesis Route 2

1204580-79-9
29682-15-3

2086752-78-3

Reference: [1]Tung, Truong Thanh; Jakobsen, Tim Holm; Dao, Trong Tuan; Fuglsang, Anja Thoe; Givskov, Michael; Christensen, Søren Brøgger; Nielsen, John
[European Journal of Medicinal Chemistry, 2017, vol. 126, p. 1011 - 1020]

Downstream Synthesis Route 3

1204580-79-9
74-88-4

17582-91-1

Reference: [1]Haydl, Alexander M.; Hartwig, John F.
[Organic Letters, 2019, vol. 21, # 5, p. 1337 - 1341]

* For details of the synthesis route, please refer to the original source to ensure accuracy.