Tert-butyl 1-benzofuran-4-ylcarbamate

Base Information

• Chemical Name: Tert-butyl 1-benzofuran-4-ylcarbamate
• CAS No.: 412336-05-1
• Molecular Formula: C13H15NO3
• Molecular Weight: 233.2631
• DSSTox Substance ID: DTXSID70700565
• Mol file: 412336-05-1.mol

Synonyms:TERT-BUTYL 1-BENZOFURAN-4-YLCARBAMATE;412336-05-1;TERT-BUTYL1-BENZOFURAN-4-YLCARBAMATE;SCHEMBL6487660;DTXSID70700565

Chemical Property of Tert-butyl 1-benzofuran-4-ylcarbamate

Chemical Property:

• PSA: 51.47000
• LogP: 3.85280
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 233.10519334
• Heavy Atom Count: 17
• Complexity: 285

Purity/Quality:

97% ^*data from raw suppliers

TERT-BUTYL-1-BENZOFURAN-4-YLCARBAMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1=C2C=COC2=CC=C1

Technology Process of Tert-butyl 1-benzofuran-4-ylcarbamate

There total 2 articles about Tert-butyl 1-benzofuran-4-ylcarbamate 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-allyl-3-hydroxy-benzoic acid methyl ester (79950-39-3) + benzofuran-4-carboxylic acid (166599-84-4) → tert-butyl (1-benzofuran-4-yl)carbamate (412336-05-1)

Guidance literature:

With diphenylphosphoranyl azide; triethylamine; In tert-butyl alcohol;

Reference yield:

benzofuran-4-carboxylic acid (166599-84-4) + tert-butyl alcohol (75-65-0) → tert-butyl (1-benzofuran-4-yl)carbamate (412336-05-1)

Guidance literature:

With diphenyl phosphoryl azide; triethylamine; for 18h; Heating;

DOI:10.1021/jm030317k

Reference yield:

tert-butyl (1-benzofuran-4-yl)carbamate (412336-05-1) → 4-aminobenzofuran (412336-07-3)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃; for 2.5h;

DOI:10.1021/jm030317k

upstream raw materials:

benzofuran-4-carboxylic acid

tert-butyl alcohol

2-allyl-3-hydroxy-benzoic acid methyl ester

Downstream raw materials:

4-aminobenzofuran