2-(4-MORPHOLINO)ETHYL ISOTHIOCYANATE

Base Information

• Chemical Name: 2-(4-MORPHOLINO)ETHYL ISOTHIOCYANATE
• CAS No.: 63224-35-1
• Molecular Formula: C7H12N2OS
• Molecular Weight: 172.251
• Hs Code.: 2934999090
• Mol file: 63224-35-1.mol

Synonyms:Morpholine, 4-(2-isothiocyanatoethyl)-;

Chemical Property of 2-(4-MORPHOLINO)ETHYL ISOTHIOCYANATE

Chemical Property:

• Vapor Pressure: 0.00323mmHg at 25°C
• Refractive Index: n20/D 1.5380(lit.)
• Boiling Point: 283.1 °C at 760 mmHg
• Flash Point: 125 °C
• PSA: 56.92000
• Density: 1.16 g/cm³
• LogP: 0.35930
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive
• Water Solubility.: Hydrolyzes in water.

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(2-isothiocyanatoethyl)morpholine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: 2-(4-Morpholino)ethyl isothiocyanate may be used to synthesize (R,S)-(2-morpholin-4-yl-ethyl)-thiocarbamic acid O-(5-[1,2] dithiolan-3-yl pentyl) ester hydrochloride.

Technology Process of 2-(4-MORPHOLINO)ETHYL ISOTHIOCYANATE

There total 5 articles about 2-(4-MORPHOLINO)ETHYL ISOTHIOCYANATE 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: 91.0%

4-(2-AMINOETHYL)MORPHOLINE (2038-03-1) + carbon disulfide (75-15-0,12122-00-8) → 2-morpholinoethyl isothiocyanate (63224-35-1)

Guidance literature:

With dicyclohexyl-carbodiimide; In diethyl ether; for 2h;

DOI:10.1055/s-1980-29005

Reference yield: 71.0%

2-morpholinoethyl isonitrile (78375-48-1) → 2-morpholinoethyl isothiocyanate (63224-35-1)

Guidance literature:

With sulfur; 1,8-diazabicyclo[5.4.0]undec-7-ene; at 40 ℃; for 4h; Green chemistry;

DOI:10.1039/d0ra10436a

Reference yield:

4-(2-AMINOETHYL)MORPHOLINE (2038-03-1) + di-2-pyridyl thionocarbonate (96989-50-3) → 2-morpholinoethyl isothiocyanate (63224-35-1)

Guidance literature:

In N,N-dimethyl-formamide; at 55 ℃; Sealed tube;

DOI:10.1016/j.bioorg.2021.105024

upstream raw materials:

4-(2-AMINOETHYL)MORPHOLINE

carbon disulfide

thiophosgene

4-(2-aminoethyl)morpholine hydrochloride

Downstream raw materials:

C₁₅H₂₃N₇OS₂

4-(2-morpholinoethyl)thiosemicarbazide

1-(2-morpholinoethyl)thiourea

Refernces

• 1、 Gavara, Laurent,Legru, Alice,Verdirosa, Federica,Sevaille, Laurent,Nauton, Lionel,Corsica, Giuseppina,Mercuri, Paola Sandra,Sannio, Filomena,Feller, Georges,Coulon, Rémi,De Luca, Filomena,Cerboni, Giulia,Tanfoni, Silvia,Chelini, Giulia,Galleni, Moreno,Docquier, Jean-Denis,Hernandez, Jean-Fran?ois. "4-Alkyl-1,2,4-triazole-3-thione analogues as metallo-β-lactamase inhibitors". . . Retrieved 2021/06/15.
• 2、 Wilson, Kenneth J.,Illig, Carl R.,Subasinghe, Nalin,Hoffman, James B.,Jonathan Rudolph,Soll, Richard,Molloy, Christopher J.,Bone, Roger,Green, David,Randall, Troy,Zhang, Marie,Lewandowski, Frank A.,Zhou, Zhao,Sharp, Celia,Maguire, Diane,Grasberger, Bruce,DesJarlais, Renee L.,Spurlino, John. "Synthesis of thiophene-2-carboxamidines containing 2-aminothiazoles and their biological evaluation as urokinase inhibitors". . p. 915 - 918. Retrieved 2007/10/03.