N-tert-butylnaphthalene-1-carboxamide

Base Information

• Chemical Name: N-tert-butylnaphthalene-1-carboxamide
• CAS No.: 53463-11-9
• Molecular Formula: C15H17NO
• Molecular Weight: 227.306
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID80357605
• Nikkaji Number: J1.268.503C
• Wikidata: Q82137582
• Mol file: 53463-11-9.mol

Synonyms:N-tert-butylnaphthalene-1-carboxamide;53463-11-9;N-(tert-Butyl)-1-naphthamide;SCHEMBL6464894;DTXSID80357605;HMS1587A13;MFCD00625373;STK203771;AKOS003052060;BS-28766;FT-0726573;AB00107580-01;SR-01000234273;SR-01000234273-1

Chemical Property of N-tert-butylnaphthalene-1-carboxamide

Chemical Property:

• Boiling Point: 424.7±14.0 °C(Predicted)
• PKA: 14.74±0.46(Predicted)
• PSA: 32.59000
• Density: 1.064±0.06 g/cm3(Predicted)
• LogP: 3.94290
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 227.131014166
• Heavy Atom Count: 17
• Complexity: 279

Purity/Quality:

99% ^*data from raw suppliers

N-(TERT-BUTYL)-1-NAPHTHAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)NC(=O)C1=CC=CC2=CC=CC=C21

Technology Process of N-tert-butylnaphthalene-1-carboxamide

There total 15 articles about N-tert-butylnaphthalene-1-carboxamide 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: 98.0%

tert-butylamine (75-64-9) + naphthalene-1-carbonic acid chloride (879-18-5) → 1-naphthalene-N-tert-butylbenzamide (53463-11-9)

Guidance literature:

With sodium hydroxide; In dichloromethane;

DOI:10.1016/S0040-4039(98)01291-X

Reference yield: 86.0%

acetic acid tert-butyl ester (540-88-5) + 1-Cyanonaphthalene (86-53-3) → 1-naphthalene-N-tert-butylbenzamide (53463-11-9)

Guidance literature:

With sulfuric acid; at 42 ℃; for 4h;

DOI:10.1016/S0040-4039(03)00006-6

Reference yield: 71.0%

tert-butylisonitrile (119072-55-8,7188-38-7) + 1-Naphthylboronic acid (13922-41-3) → 1-naphthalene-N-tert-butylbenzamide (53463-11-9)

Guidance literature:

With water; copper hydroxide; palladium dichloride; In toluene; at 100 ℃; for 16h; Schlenk technique;

DOI:10.1021/acs.orglett.7b01548

upstream raw materials:

tert-butylamine

naphthalene-1-carbonic acid chloride

18-crown-6 ether

acetic acid tert-butyl ester

Downstream raw materials:

N-t-butyl-N-(d₇-benzyl)-1-naphthamide

C₂₂H₂₂⁽²⁾HNO

1-naphthalenecarboxylic acid

N-tert-butyl-2-(4-nitrobenzamido)-1-naphthamide