5-[(4-bromophenyl)methyl]-2-(1,1-dimethylethyl)-2H-tetrazole

Base Information

• Chemical Name: 5-[(4-bromophenyl)methyl]-2-(1,1-dimethylethyl)-2H-tetrazole
• CAS No.: 127152-65-2
• Molecular Formula: C₁₂H₁₅BrN₄
• Molecular Weight: 295.182
• DSSTox Substance ID: DTXSID301186375

Synonyms:5-[(4-bromophenyl)methyl]-2-(1,1-dimethylethyl)-2H-tetrazole;SCHEMBL9077369;ONGHEVAELRNECG-UHFFFAOYSA-N;DTXSID301186375;5-[(4-bromophenyl) methyl]-2-(1,1-dimethylethyl)-2H-tetrazole;127152-65-2

Chemical Property of 5-[(4-bromophenyl)methyl]-2-(1,1-dimethylethyl)-2H-tetrazole

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 294.04801
• Heavy Atom Count: 17
• Complexity: 245

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)N1N=C(N=N1)CC2=CC=C(C=C2)Br

Technology Process of 5-[(4-bromophenyl)methyl]-2-(1,1-dimethylethyl)-2H-tetrazole

There total 3 articles about 5-[(4-bromophenyl)methyl]-2-(1,1-dimethylethyl)-2H-tetrazole 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: 54.0%

5-<(4-bromophenyl)methyl>-2H-tetrazole (127152-64-1) → 5-<(4-bromophenyl)methyl>-2-(1,1-dimethylethyl)-2H-tetrazole (127152-65-2)

Guidance literature:

With sulfuric acid; trifluoroacetic acid; In tert-butyl alcohol;

Reference yield: 54.0%

5-<(4-bromophenyl)methyl>-2H-tetrazole (127152-64-1) + tert-butyl alcohol (75-65-0) → 5-<(4-bromophenyl)methyl>-2-(1,1-dimethylethyl)-2H-tetrazole (127152-65-2)

Guidance literature:

With sulfuric acid; In trifluoroacetic acid; for 24h;

DOI:10.1021/jm00107a037

Reference yield:

4-Bromophenylacetonitrile (16532-79-9) → 5-<(4-bromophenyl)methyl>-2-(1,1-dimethylethyl)-2H-tetrazole (127152-65-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 44 percent / NaN₃, NH₄Cl / dimethylformamide / 48 h / 90 °C

2: 54 percent / conc. H₂SO₄ / trifluoroacetic acid / 24 h

With sodium azide; sulfuric acid; ammonium chloride; In N,N-dimethyl-formamide; trifluoroacetic acid;

DOI:10.1021/jm00107a037

upstream raw materials:

5-<(4-bromophenyl)methyl>-2H-tetrazole

tert-butyl alcohol

4-Bromophenylacetonitrile

Downstream raw materials:

1,1-dimethylethyl 4-[[2-(1,1-dimethylethyl)-2H-tetrazol-5-yl]methyl]benzenepropenoate

(+/-)-4-<<2-(1,1-dimethylethyl)-2H-tetrazol-5-yl>methyl>-α-aminobenzenepropanoic acid phenylmethyl ester p-toluenesulfonate

(+/-)-4-<<2-(1,1-dimethylethyl)-2H-tetrazol-5-yl>methyl>-α-<(diphenylmethylene)amino>benzenepropanoic acid phenylmethyl ester

(+/-)-α-(acetylamino)-4-<<2-(1,1-dimethylethyl)-2H-tetrazol-5-yl>methyl>benzenepropanoic acid phenylmethyl ester

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 127152-65-2 5-<(4-bromophenyl)methyl>-2-(1,1-dimethylethyl)-2H-tetrazole

Send

Send

Metric Ton KG G Pound L ML

Send

Send