2-(1-Trityl-1H-tetrazol-5-YL)phenylboronic acid

Base Information

• Chemical Name: 2-(1-Trityl-1H-tetrazol-5-YL)phenylboronic acid
• CAS No.: 144873-97-2
• Molecular Formula: C26H21BN4O2
• Molecular Weight: 432.289
• DSSTox Substance ID: DTXSID10438411
• Nikkaji Number: J2.205.624G
• Wikidata: Q82254153
• Mol file: 144873-97-2.mol

Synonyms:144873-97-2;2-(1-trityl-5-tetrazolyl)phenylboronic acid;2-(1-TRITYL-1H-TETRAZOL-5-YL)PHENYLBORONIC ACID;[2-(1-trityltetrazol-5-yl)phenyl]boronic Acid;MFCD11521594;Boronic acid, b-[2-[1-(triphenylmethyl)-1h-tetrazol-5-yl]phenyl]-;(2-(1-Trityl-1H-tetrazol-5-yl)phenyl)boronic acid;[2-[1-(TRIPHENYLMETHYL)-1H-TETRAZOL-5-YL]PHENYL]BORONIC ACID;[2-(1-trityl-1H-tetrazol-5-yl)phenyl]boronic acid;SCHEMBL654077;2-2-(Triphenylmethyl)-2H-tetrazol-5-ylphenylboronicacid;DTXSID10438411;LCOAZIDDOCSTQX-UHFFFAOYSA-N;AC4305;AKOS015960254;SY039009;CS-0446637;2-(1-Trityl-1H-tetrazole-5-yl)phenylboranic acid;A926651;2-(N-triphenylmethyltetrazol-5-yl)phenylboronic acid;2-(N-triphenylmethyltetrazol-5-yl) phenylboronic acid;2-(N-triphenylmethyl-1H-tetrazol-5-yl)benzeneboronic acid;{2-[1-(triphenylmethyl)-1H-1,2,3,4-tetrazol-5-yl]phenyl}boronic acid

Chemical Property of 2-(1-Trityl-1H-tetrazol-5-YL)phenylboronic acid

Chemical Property:

• PSA: 84.06000
• LogP: 2.86010
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 432.1757561
• Heavy Atom Count: 33
• Complexity: 560

Purity/Quality:

97% ^*data from raw suppliers

2-(1-Trityl-5-tetrazolyl)phenylboronicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=CC=C1C2=NN=NN2C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(O)O

Technology Process of 2-(1-Trityl-1H-tetrazol-5-YL)phenylboronic acid

There total 8 articles about 2-(1-Trityl-1H-tetrazol-5-YL)phenylboronic 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: 94.0%

N-(triphenylmethyl)phenyltetrazole (154750-11-5) + Triisopropyl borate (5419-55-6) → 2-(N-triphenylmethyl-tetrazol-5-yl)-phenylboronic acid (144873-97-2)

Guidance literature:

N-(triphenylmethyl)phenyltetrazole; With n-butyllithium; In tetrahydrofuran; hexane; at -25 - -5 ℃; for 3.75h;

Triisopropyl borate; In tetrahydrofuran; hexane; at -25 - 35 ℃; for 2h;

With water; acetic acid; In tetrahydrofuran; hexane; at 0 - 5 ℃; for 1 - 1.33333h; Product distribution / selectivity;

Reference yield: 94.0%

Trimethyl borate (121-43-7,63156-11-6) → 2-(N-triphenylmethyl-tetrazol-5-yl)-phenylboronic acid (144873-97-2)

Guidance literature:

N-(triphenylmethyl)phenyltetrazole; With n-butyllithium; In tetrahydrofuran; at -20 - -5 ℃; for 1h;

Trimethyl borate; In tetrahydrofuran; at -25 - 20 ℃; for 0.5h;

With water; In tetrahydrofuran;

Reference yield: 94.0%

N-(triphenylmethyl)phenyltetrazole (154750-11-5) + Trimethyl borate (121-43-7,63156-11-6) → 2-(N-triphenylmethyl-tetrazol-5-yl)-phenylboronic acid (144873-97-2)

Guidance literature:

N-(triphenylmethyl)phenyltetrazole; With n-butyllithium; In tetrahydrofuran; at -20 - -5 ℃; for 1h;

Trimethyl borate; In tetrahydrofuran; at -25 - 20 ℃; for 0.5h;

With water; In tetrahydrofuran;

upstream raw materials:

N-(triphenylmethyl)phenyltetrazole

Trimethyl borate

Triisopropyl borate

benzonitrile

Downstream raw materials:

cilexetil trityl candesartan

C₂₄⁽¹⁴⁾CH₂₈N₆O

N-[[2'-(1-triphenylmethyltetrazol-5yl)biphenyl-4-yl]methyl]-N-valeryl-L-valine methyl ester

1-propyl-2-[2'-(1-trityl-1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-1H-imidazole-4-carboxylic acid ethyl ester