4-Morpholinobenzenecarbothioamide

Base Information

• Chemical Name: 4-Morpholinobenzenecarbothioamide
• CAS No.: 519056-60-1
• Molecular Formula: C11H14N2OS
• Molecular Weight: 222.311
• DSSTox Substance ID: DTXSID10383634
• Mol file: 519056-60-1.mol

Synonyms:4-morpholinobenzenecarbothioamide;519056-60-1;4-morpholin-4-ylbenzenecarbothioamide;4-Morpholinobenzothioamide;4-(morpholin-4-yl)benzene-1-carbothioamide;4-(Morpholin-4'-y)lthiobenzamide;SCHEMBL15285555;DTXSID10383634;KOPFTYFPHHZQCH-UHFFFAOYSA-N;MFCD04115379;AKOS000218197;MS-22182;CS-0268346;FT-0619153;EN300-1826333;J-515843

Chemical Property of 4-Morpholinobenzenecarbothioamide

Chemical Property:

• Vapor Pressure: 7.97E-07mmHg at 25°C
• Melting Point: 235℃
• Refractive Index: 1.635
• Boiling Point: 406.7°C at 760 mmHg
• Flash Point: 199.8°C
• PSA: 70.58000
• Density: 1.239g/cm³
• LogP: 1.92270
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 222.08268425
• Heavy Atom Count: 15
• Complexity: 221

Purity/Quality:

98%min ^*data from raw suppliers

4-(Morpholin-4''-y)lthiobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1C2=CC=C(C=C2)C(=S)N

Technology Process of 4-Morpholinobenzenecarbothioamide

There total 2 articles about 4-Morpholinobenzenecarbothioamide 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: 83.3%

(4-morpholin-4-yl-phenyl)-amide (183557-77-9) → 4-(morpholino)thiobenzamide (519056-60-1)

Guidance literature:

With Lawessons reagent; In tetrahydrofuran; at 70 ℃; for 4h;

Reference yield:

4-aminobenzamide (2835-68-9) → 4-(morpholino)thiobenzamide (519056-60-1)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate; sodium iodide / N,N-dimethyl-formamide / 5 h / 140 - 150 °C

2: Lawessons reagent / tetrahydrofuran / 4 h / 70 °C

With Lawessons reagent; potassium carbonate; sodium iodide; In tetrahydrofuran; N,N-dimethyl-formamide;

Reference yield:

4-(morpholino)thiobenzamide (519056-60-1) → 3-(2-(4-(morpholinyl)phenyl)thiazol-5-yl)-2,6-dimethylpyrimidine-4(3H)-one (1542257-72-6)

Guidance literature:

Multi-step reaction with 4 steps

1.1: toluene-4-sulfonic acid / ethanol / 95 °C

2.1: sulfuric acid; nitric acid / 4.5 h / -10 - 0 °C

3.1: palladium; hydrogen / dichloromethane / 20 °C

4.1: trimethylaluminum / dichloromethane; toluene / 1 h / 20 °C

4.2: 20 °C

With sulfuric acid; hydrogen; trimethylaluminum; nitric acid; toluene-4-sulfonic acid; palladium; In ethanol; dichloromethane; toluene;

upstream raw materials:

4-aminobenzamide

(4-morpholin-4-yl-phenyl)-amide

Downstream raw materials:

3-(2-(4-(morpholinyl)phenyl)thiazol-5-yl)-2,6-dimethylpyrimidine-4(3H)-one

4-(4-(5-nitrothiazol-2-yl)phenyl)morpholine

2-(4-morpholinophenyl) thiazol-5-amine

Refernces

• 1、 -. "Nitrogenous Heterocyclic Derivatives And Their Application In Drugs". . . Retrieved 2015/03/31.