Benzamide, N-((1-naphthalenylamino)thioxomethyl)-

Base Information

• Chemical Name: Benzamide, N-((1-naphthalenylamino)thioxomethyl)-
• CAS No.: 4921-84-0
• Molecular Formula: C18H14N2OS
• Molecular Weight: 306.388
• DSSTox Substance ID: DTXSID1063649
• Nikkaji Number: J49.082B
• Mol file: 4921-84-0.mol

Synonyms:N-(naphthalen-1-ylcarbamothioyl)benzamide;4921-84-0;USAF K-1451;Benzamide, N-((1-naphthalenylamino)thioxomethyl)-;Benzoyl-alpha-naphthyl-thiourea;115567-50-5;BRN 2814099;Benzamide, N-[(1-naphthalenylamino)thioxomethyl]-;Urea, 1-benzoyl-3-(alpha-naphthyl)-2-thio-;1-BENZOYL-3-(NAPHTHALEN-1-YL)THIOUREA;0-12-00-01242 (Beilstein Handbook Reference);C18H14N2OS;Benzamide, N-[(naphthalenylamino)thioxomethyl]- (9CI);n-(1-naphthylcarbamothioyl)benzamide;N-benzoyl-N'-naphthyl thiourea;DTXSID1063649;SCHEMBL14162005;N-benzoyl-N'-(1-naphthyl)thiourea;STK025630;AKOS000492720;LS-158922;Thiourea, N-benzoyl-N'-(1-naphthalenyl)-;Urea, 1-benzoyl-3-(1-naphthyl)-2-thio-;AN-329/40646471

Chemical Property of Benzamide, N-((1-naphthalenylamino)thioxomethyl)-

Chemical Property:

• PSA: 83.75000
• Density: 1.316g/cm³
• LogP: 4.76190
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 306.08268425
• Heavy Atom Count: 22
• Complexity: 406

Purity/Quality:

95% ^*data from raw suppliers

N-[(1-naphthylamino)carbonothioyl]benzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=CC=CC=C32

Technology Process of Benzamide, N-((1-naphthalenylamino)thioxomethyl)-

There total 7 articles about Benzamide, N-((1-naphthalenylamino)thioxomethyl)- 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%

1-amino-naphthalene (134-32-7) + Benzoyl isothiocyanate (532-55-8) → N-(naphthalen-1-ylcarbamothioyl)benzamide (4921-84-0)

Guidance literature:

In acetone; at 20 ℃; for 1h;

DOI:10.1016/j.bmcl.2006.01.126

Reference yield:

benzoyl chloride (98-88-4) → N-(naphthalen-1-ylcarbamothioyl)benzamide (4921-84-0)

Guidance literature:

Multi-step reaction with 2 steps

1: PEG-400 / 5 h / 20 °C

2: 5 h / 20 °C

With PEG-400;

Reference yield:

ammonium thiocyanate (1147550-11-5) + 1-amino-naphthalene (134-32-7) + benzoyl chloride (98-88-4) → N-(naphthalen-1-ylcarbamothioyl)benzamide (4921-84-0)

Guidance literature:

Yield given. Multistep reaction; 1.) acetone, reflux, 1 h, 2.) acetone, reflux, 4 h;

DOI:10.1080/00397919308011119

upstream raw materials:

1-amino-naphthalene

Benzoyl isothiocyanate

ammonium thiocyanate

benzoyl chloride

Downstream raw materials:

N,N'-bis(1-naphthyl)thiourea

1-naphthanilide

1-amino-naphthalene

benzaldehyde