3-bromo-N-pentan-3-ylbenzamide

Base Information

• Chemical Name: 3-bromo-N-pentan-3-ylbenzamide
• CAS No.: 6612-51-7
• Molecular Formula: C12H16BrNO
• Molecular Weight: 155.315
• DSSTox Substance ID: DTXSID20358292
• Wikidata: Q82138759
• ChEMBL ID: CHEMBL1720420
• Mol file: 6612-51-7.mol

Synonyms:6612-51-7;3-bromo-N-(pentan-3-yl)benzamide;3-bromo-N-pentan-3-ylbenzamide;Cambridge id 6612517;MLS000684046;CHEMBL1720420;DTXSID20358292;HMS2703D14;3-bromo-N-(1-ethylpropyl)benzamide;STK079596;AKOS000177851;SMR000291693;SR-01000238810;SR-01000238810-1

Chemical Property of 3-bromo-N-pentan-3-ylbenzamide

Chemical Property:

• Vapor Pressure: 2E-05mmHg at 25°C
• Boiling Point: 361.9°C at 760 mmHg
• Flash Point: 172.7°C
• Density: 1.272g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 269.04153
• Heavy Atom Count: 15
• Complexity: 204

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(CC)NC(=O)C1=CC(=CC=C1)Br

Technology Process of 3-bromo-N-pentan-3-ylbenzamide

There total 1 articles about 3-bromo-N-pentan-3-ylbenzamide 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:

→ 1-trimethylsilanyl-1,2,3,6-tetrahydro-pyridine (6612-51-7)

Guidance literature:

Trimethylsilan/Pd, Pyridin;

DOI:10.1021/ja00966a039

Reference yield: 25.0%

1-trimethylsilanyl-1,2,3,6-tetrahydro-pyridine (6612-51-7) → 3-hydroxypiperazine (6859-99-0) + 4-HYDROXYPIPERIDINE (5382-16-1)

Guidance literature:

DOI:10.1016/S0040-4039(00)96859-X

Reference yield:

1-trimethylsilanyl-1,2,3,6-tetrahydro-pyridine (6612-51-7) → 5-piperidylboronic acid (120347-74-2) + C5H9NHB(OH)2 (120347-72-0)

Guidance literature:

With dimethylsulfide borane complex; In tetrahydrofuran; mixing of compd. (0°C, Ar atmosphere), stirring of mixt. (1h, room temp.), evapn., addn. of cold CH3OH, stirring under reflux (30 min), evapn., dissolving (HCl), refluxing (1h), evapn. (vac., 60°C, percolating ion exchange resin; evapn.;

Downstream raw materials:

3-hydroxypiperazine

4-HYDROXYPIPERIDINE

5-piperidylboronic acid

C₅H₉NHB(OH)2