2-Methyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,4-oxadiazole

Base Information

• Chemical Name: 2-Methyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,4-oxadiazole
• CAS No.: 1056456-24-6
• Molecular Formula: C15H19BN2O3
• Molecular Weight: 286.138
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00694120
• Wikidata: Q82623099
• Mol file: 1056456-24-6.mol

Synonyms:1056456-24-6;2-Methyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,4-oxadiazole;2-methyl-5-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,4-oxadiazole;2-methyl-5-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,3,4-oxadiazole;4-(5-METHYL-1,3,4-OXADIAZOL-2-YL)PHENYLBORONIC ACID, PINACOL ESTER;1056456-25-7;(4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl)boronic acid pinacol ester;2-methyl-5-(4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,3,4-oxadiazole;SCHEMBL1458494;DTXSID00694120;OXEIYXNIHXJZDF-UHFFFAOYSA-N;AMY33612;MFCD18384931;AKOS015960203;PB34936;SB19964;AS-51308;CS-0051852;P12363;A895969;4-(5-Methyl-1,3,4-oxadiazol-2-yl)phenylboronic acid pinacol ester;2-Methyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxa-borolan-2-yl)phenyl]-1,3,4-oxadiazole

Chemical Property of 2-Methyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,4-oxadiazole

Chemical Property:

• PSA: 57.38000
• LogP: 2.34420
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 286.1488726
• Heavy Atom Count: 21
• Complexity: 367

Purity/Quality:

97% ^*data from raw suppliers

2-Methyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,4-oxadiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=NN=C(O3)C

Technology Process of 2-Methyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,4-oxadiazole

There total 1 articles about 2-Methyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,4-oxadiazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 70.0%

→ 2-methyl-5-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,3,4-oxadiazole (1056456-24-6)

Guidance literature:

Reference yield:

2-methyl-5-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,3,4-oxadiazole (1056456-24-6) + 6-Bromo-1-(4-chloro-benzyl)-1H-thieno[3,2-d]pyrimidin-4-one (1276129-46-4) → 1-(4-chloro-benzyl)-6-[4-(5-methyl-[1,3,4]oxadiazol-2-yl)-phenyl]-1H-thieno[3,2-d]pyrimidin-4-one (1276129-94-2)

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In water; N,N-dimethyl-formamide; at 100 ℃; for 1h;

Reference yield:

methanesulfonic acid (75-75-2,98527-29-8) + 2-methyl-5-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,3,4-oxadiazole (1056456-24-6) + C29H38BrN7O2Si → (1R,3R)-3-((3-bromo-1-(4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)-N,1-dimethylcyclopentane-1-carboxamide mesylate

Guidance literature:

2-methyl-5-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1,3,4-oxadiazole; C₂₉H₃₈BrN₇O₂Si; With oxygen; copper diacetate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; Heating;

methanesulfonic acid;

Downstream raw materials:

1-(4-chloro-benzyl)-6-[4-(5-methyl-[1,3,4]oxadiazol-2-yl)-phenyl]-1H-thieno[3,2-d]pyrimidin-4-one

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