B-[2-[2-(1-Methyl-1-phenylethyl)-2H-tetrazol-5-yl]phenyl]boronic acid

Base Information

• Chemical Name: B-[2-[2-(1-Methyl-1-phenylethyl)-2H-tetrazol-5-yl]phenyl]boronic acid
• CAS No.: 844681-82-9
• Molecular Formula: C₁₆H₁₇BN₄O₂
• Molecular Weight: 308.148
• European Community (EC) Number: 617-572-8
• DSSTox Substance ID: DTXSID801156258
• Mol file: 844681-82-9.mol

Synonyms:SCHEMBL4888374;DTXSID801156258;B-[2-[2-(1-Methyl-1-phenylethyl)-2H-tetrazol-5-yl]phenyl]boronic acid;844681-82-9

Chemical Property of B-[2-[2-(1-Methyl-1-phenylethyl)-2H-tetrazol-5-yl]phenyl]boronic acid

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 308.1444560
• Heavy Atom Count: 23
• Complexity: 390

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: B(C1=CC=CC=C1C2=NN(N=N2)C(C)(C)C3=CC=CC=C3)(O)O

Technology Process of B-[2-[2-(1-Methyl-1-phenylethyl)-2H-tetrazol-5-yl]phenyl]boronic acid

There total 1 articles about B-[2-[2-(1-Methyl-1-phenylethyl)-2H-tetrazol-5-yl]phenyl]boronic acid 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:

(2-(2-(1-methyl-1-phenyl-ethyl)-2H-tetrazol-5-yl)-phenyl)-magnesium diisopropylamide → (2-(2-(1-methyl-1-phenyl-ethyl)-2H-tetrazol-5-yl)-phenyl)-boronic acid (844681-82-9)

Guidance literature:

(2-(2-(1-methyl-1-phenyl-ethyl)-2H-tetrazol-5-yl)-phenyl)-magnesium diisopropylamide; With Trimethyl borate; In tetrahydrofuran; at 0 - 20 ℃; for 2.33333h;

With phosphoric acid; In tetrahydrofuran; water; at 30 - 35 ℃; for 2h; pH=2.5 - 3;

Reference yield: 100.0%

(2-(2-(1-methyl-1-phenyl-ethyl)-2H-tetrazol-5-yl)-phenyl)-boronic acid (844681-82-9) + 3-(4-bromobenzyl)-5-(1-hydroxy-1-methylethyl)-2-propyl-3H-imidazole-4-carboxylic acid ethyl ester (685091-51-4) → 5-(1-hydroxy-1-methyl-ethyl)-3-{2'-[2-(1-methyl-1-phenyl-ethyl)-2H-tetrazol-5-yl]-biphenyl-4-yl-methyl}-2-propyl-3H-imidazol-4-carboxylic acid ethyl ester (1014987-69-9)

Guidance literature:

With potassium carbonate; palladium diacetate; triphenylphosphine; In tetrahydrofuran; water; for 20h; Product distribution / selectivity; Heating / reflux;

Reference yield:

(2-(2-(1-methyl-1-phenyl-ethyl)-2H-tetrazol-5-yl)-phenyl)-boronic acid (844681-82-9) + 2-n-Butyl-4-chloro-1-(4-bromobenzyl)-1H-imidazole-5-methanol (151012-31-6) → (2-butyl-5-chloro-3-{2'-[2-(1-methyl-1-phenyl-ethyl)-2H-tetrazol-5-yl]-biphenyl-4-ylmethyl}-3H-imidazol-4-yl)-methanol (852357-69-8)

Guidance literature:

(2-(2-(1-methyl-1-phenyl-ethyl)-2H-tetrazol-5-yl)-phenyl)-boronic acid; With water; In formaldehyde diethyl acetal; at 20 ℃; for 1h;

2-n-Butyl-4-chloro-1-(4-bromobenzyl)-1H-imidazole-5-methanol; With potassium carbonate; palladium diacetate; triphenylphosphine; In tetrahydrofuran; formaldehyde diethyl acetal; water; for 6h; Heating / reflux;

Downstream raw materials:

5-(1-hydroxy-1-methyl-ethyl)-3-{2'-[2-(1-methyl-1-phenyl-ethyl)-2H-tetrazol-5-yl]-biphenyl-4-yl-methyl}-2-propyl-3H-imidazol-4-carboxylic acid ethyl ester

(2-butyl-5-chloro-3-{2'-[2-(1-methyl-1-phenyl-ethyl)-2H-tetrazol-5-yl]-biphenyl-4-ylmethyl}-3H-imidazol-4-yl)-methanol