2-Ethoxybenzene-1-carbothioamide

Base Information

• Chemical Name: 2-Ethoxybenzene-1-carbothioamide
• CAS No.: 725702-35-2
• Molecular Formula: C₉H₁₁NOS
• Molecular Weight: 181.258
• Hs Code.: 2930909090
• European Community (EC) Number: 691-679-8
• DSSTox Substance ID: DTXSID30428910
• Nikkaji Number: J2.595.578A
• Mol file: 725702-35-2.mol

Synonyms:2-ethoxybenzene-1-carbothioamide;725702-35-2;2-ethoxybenzenecarbothioamide;2-Ethoxybenzothioamide;2-ethoxythiobenzamide;SCHEMBL7897819;DTXSID30428910;MFCD06090837;AKOS000133921;NCGC00341341-01;CS-0250728;FT-0743364;EN300-52037;AB01332883-02;Z295385328

Chemical Property of 2-Ethoxybenzene-1-carbothioamide

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 113-119℃
• Refractive Index: 1.603
• Boiling Point: 312.456°C at 760 mmHg
• Flash Point: 142.769°C
• PSA: 67.34000
• Density: 1.158g/cm³
• LogP: 2.41980
• Sensitive.: Air Sensitive
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 181.05613515
• Heavy Atom Count: 12
• Complexity: 161

Purity/Quality:

98%Min ^*data from raw suppliers

2-Ethoxybenzene-1-carbothioamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=CC=C1C(=S)N

Technology Process of 2-Ethoxybenzene-1-carbothioamide

There total 1 articles about 2-Ethoxybenzene-1-carbothioamide 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:

2-ethoxybenzamide (938-73-8) → 2-ethoxybenzothioamide (725702-35-2)

Guidance literature:

With Lawessons reagent; In toluene; at 95 ℃; Inert atmosphere;

DOI:10.3184/030823410X12677120188989

Reference yield: 100.0%

2-ethoxybenzothioamide (725702-35-2) + C26H38BrN3O7 (1308396-68-0) → C35H46N4O7S

Guidance literature:

In tetrahydrofuran; at 65 ℃; for 1h;

DOI:10.1016/j.bmcl.2013.05.046

Reference yield: 76.0%

2-ethoxybenzothioamide (725702-35-2) + o-aminobenzyl chloride hydrochloride (88301-81-9) → 2-(2-ethoxyphenyl)-4H-3,1-benzothiazine (1005311-18-1)

Guidance literature:

at 110 - 120 ℃; for 0.5h;

DOI:10.1016/j.tet.2007.09.079

upstream raw materials:

2-ethoxybenzamide

Downstream raw materials:

2-(2-ethoxyphenyl)-4H-3,1-benzothiazine

3,5-bis(2-ethoxyphenyl)-1,2,4-thiadiazole

Refernces