N-(4-Butoxybenzyl)formamide

Base Information

• Chemical Name: N-(4-Butoxybenzyl)formamide
• CAS No.: 87578-63-0
• Molecular Formula: C12H17 N O2
• Molecular Weight: 207.27
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID00236488
• Wikidata: Q83118461
• ChEMBL ID: CHEMBL158183
• Mol file: 87578-63-0.mol

Synonyms:4-BBFA;N-(4-butoxybenzyl)formamide;N-(para-butoxybenzyl)formamide

Chemical Property of N-(4-Butoxybenzyl)formamide

Chemical Property:

• Vapor Pressure: 2.16E-06mmHg at 25°C
• Boiling Point: 393.2°C at 760 mmHg
• Flash Point: 191.6°C
• PSA: 41.82000
• Density: 1.026g/cm³
• LogP: 2.95180
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 207.125928785
• Heavy Atom Count: 15
• Complexity: 165

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCOC1=CC=C(C=C1)CNC=O

Technology Process of N-(4-Butoxybenzyl)formamide

There total 3 articles about N-(4-Butoxybenzyl)formamide 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: 33.0%

formic acid (64-18-6) + p-n-butoxybenzylamine (21244-35-9) → N-(p-butoxybenzyl)formamide (87578-63-0)

Guidance literature:

at 100 ℃; for 8h;

DOI:10.1021/ja00323a048

Reference yield:

4-butoxybenzonitrile (5203-14-5) → N-(p-butoxybenzyl)formamide (87578-63-0)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄ / diethyl ether / 2 h

2: 33 percent / 8 h / 100 °C

With lithium aluminium tetrahydride; In diethyl ether;

DOI:10.1021/ja00323a048

Reference yield:

4-cyanophenol (767-00-0) → N-(p-butoxybenzyl)formamide (87578-63-0)

Guidance literature:

Multi-step reaction with 3 steps

1: K₂CO₃ / acetone / 8 h / Heating

2: LiAlH₄ / diethyl ether / 2 h

3: 33 percent / 8 h / 100 °C

With lithium aluminium tetrahydride; potassium carbonate; In diethyl ether; acetone;

DOI:10.1021/ja00323a048

upstream raw materials:

formic acid

p-n-butoxybenzylamine

4-butoxybenzonitrile

4-cyanophenol