Carbamic acid, [(4-bromophenyl)methyl]propyl-, 1,1-dimethylethyl ester

Base Information

• Chemical Name: Carbamic acid, [(4-bromophenyl)methyl]propyl-, 1,1-dimethylethyl ester
• CAS No.: 152300-61-3
• Molecular Formula: C15H22BrNO2
• Molecular Weight: 328.249
• DSSTox Substance ID: DTXSID401153907
• Mol file: 152300-61-3.mol

Synonyms:SCHEMBL17393769;DTXSID401153907;AKOS015967243;Carbamic acid, [(4-bromophenyl)methyl]propyl-, 1,1-dimethylethyl ester;152300-61-3

Chemical Property of Carbamic acid, [(4-bromophenyl)methyl]propyl-, 1,1-dimethylethyl ester

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 327.08339
• Heavy Atom Count: 19
• Complexity: 280

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCN(CC1=CC=C(C=C1)Br)C(=O)OC(C)(C)C

Technology Process of Carbamic acid, [(4-bromophenyl)methyl]propyl-, 1,1-dimethylethyl ester

There total 2 articles about Carbamic acid, [(4-bromophenyl)methyl]propyl-, 1,1-dimethylethyl ester 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: 100.0%

di-tert-butyl dicarbonate (24424-99-5) + N-(4-bromophenylmethyl)-N-propylamine (150869-52-6) → tert-butyl (4-bromobenzyl)propylcarbamate (152300-61-3)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 4.5h;

DOI:10.1021/jo048051s

Reference yield:

1-bromomethyl-4-bromobenzene (589-15-1) → tert-butyl (4-bromobenzyl)propylcarbamate (152300-61-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / tetrahydrofuran / 4 h / 20 °C

2: 100 percent / triethylamine / CH₂Cl₂ / 4.5 h / 20 °C

With triethylamine; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jo048051s

Reference yield: 91.0%

tert-butyl (4-bromobenzyl)propylcarbamate (152300-61-3) + 3,3,4,4,5,5,6,6,6-Nonafluoro-1-hexene (19430-93-4) → [4-(3,3,4,4,5,5,6,6,6-nonafluoro-hex-1-enyl)-benzyl]-propyl-carbamic acid tert-butyl ester

Guidance literature:

With 2,6-di-tert-butyl-4-methyl-phenol; [(o-tolyl)2PC₆H₄CH₂Pd(OAc)]2; sodium acetate; In N,N-dimethyl-formamide; at 125 ℃; for 40h;

DOI:10.1021/jo048051s

upstream raw materials:

di-tert-butyl dicarbonate

N-(4-bromophenylmethyl)-N-propylamine

1-bromomethyl-4-bromobenzene

Downstream raw materials:

[4-(3,3,4,4,5,5,6,6,6-nonafluoro-hexyl)-benzyl]-propyl-amine

[4-(3,3,4,4,5,5,6,6,6-nonafluoro-hexyl)-benzyl]-propyl-carbamic acid tert-butyl ester

propyl-[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl)-benzyl]-amine

propyl-[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl)-benzyl]-carbamic acid tert-butyl ester