1-Naphthaleneethanethioamide

Base Information

• Chemical Name: 1-Naphthaleneethanethioamide
• CAS No.: 17518-47-7
• Molecular Formula: C₁₂H₁₁NS
• Molecular Weight: 201.292
• Hs Code.: 2930909090
• European Community (EC) Number: 853-079-6
• DSSTox Substance ID: DTXSID4066208
• Nikkaji Number: J54.114A
• Mol file: 17518-47-7.mol

Synonyms:1-Naphthaleneethanethioamide;17518-47-7;2-naphthalen-1-ylethanethioamide;1-Naphthyl thioacetamide;2-(naphthalen-1-yl)ethanethioamide;2-(1-Naphthyl)thioacetamide;1-Naphthaleneacetamide, thio-;BRN 2441839;Acetamide, 2-(1-naphthyl)thio-;1-naphthylthioacetamide;1-Naphthalenethioacetamide;SCHEMBL9568769;DTXSID4066208;MFCD01743595;AKOS000155092;NS-02063;EN300-1198103

Chemical Property of 1-Naphthaleneethanethioamide

Chemical Property:

• Vapor Pressure: 3.55E-06mmHg at 25°C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 386.4°Cat760mmHg
• Flash Point: 187.5°C
• PSA: 58.11000
• Density: 1.219g/cm³
• LogP: 3.36870
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 201.06122053
• Heavy Atom Count: 14
• Complexity: 214

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2CC(=S)N
• Uses: 1-Naphthaleneethanethioamide is used as a reactant in organic synthesis.

Technology Process of 1-Naphthaleneethanethioamide

There total 2 articles about 1-Naphthaleneethanethioamide 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:

naphthalen-1-ylacetonitrile (132-75-2) → α-Naphthylthioacetamid (17518-47-7)

Guidance literature:

With hydrogen sulfide; triethylamine; In pyridine;

DOI:10.1021/jm00302a013

Reference yield:

→ α-Naphthylthioacetamid (17518-47-7)

Guidance literature:

α-Naphthylacetonitril, Diethylamin / H2S;

Reference yield:

α-Naphthylthioacetamid (17518-47-7) + 3-bromo-3-(4-chlorobenzoyl)propionic acid (35158-39-5) → C22H16ClNO2S (1214879-50-1)

Guidance literature:

In N,N-dimethyl-formamide; at 100 ℃; Microwave irradiation;

DOI:10.1016/j.bmcl.2009.12.015

upstream raw materials:

naphthalen-1-ylacetonitrile

Downstream raw materials:

C₂₂H₁₆ClNO₂S

Refernces