4-MORPHOLINOPHENYL ISOTHIOCYANATE

Base Information

• Chemical Name: 4-MORPHOLINOPHENYL ISOTHIOCYANATE
• CAS No.: 51317-66-9
• Molecular Formula: C11H12N2OS
• Molecular Weight: 220.295
• Hs Code.: 2934999090
• Mol file: 51317-66-9.mol

Synonyms:4-(4-Isothiocyanatophenyl)morpholine;4-(4-Morpholinyl)phenyl isothiocyanate;NSC 13703;

Chemical Property of 4-MORPHOLINOPHENYL ISOTHIOCYANATE

Chemical Property:

• Vapor Pressure: 1.99E-06mmHg at 25°C
• Melting Point: 84 °C
• Refractive Index: 1.613
• Boiling Point: 394.4 °C at 760 mmHg
• PKA: 3.95±0.40(Predicted)
• Flash Point: 192.3 °C
• Density: 1.2 g/cm ³

Purity/Quality:

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

4-(4-Isothiocyanatophenyl)morpholine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Hazard Codes: Xn:Harmful
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-MORPHOLINOPHENYL ISOTHIOCYANATE

There total 6 articles about 4-MORPHOLINOPHENYL 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: 99.0%

4-morpholino-4-yl-phenylamine (2524-67-6,86759-37-7) + thiophosgene (463-71-8) → 4-(4-isothiocyanato-phenyl)morpholine (51317-66-9)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 - 20 ℃;

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + 4-morpholino-4-yl-phenylamine (2524-67-6,86759-37-7) → 4-(4-isothiocyanato-phenyl)morpholine (51317-66-9)

Guidance literature:

carbon disulfide; 4-morpholino-4-yl-phenylamine; With triethylamine; In tetrahydrofuran; at 0 - 5 ℃; for 6h;

With chloroformic acid ethyl ester; In tetrahydrofuran; chloroform; at 0 - 5 ℃; for 1.5h;

DOI:10.1016/j.ejps.2019.04.005

Reference yield:

4-morpholino-4-yl-phenylamine (2524-67-6,86759-37-7) + 1,1'-Thiocarbonyldiimidazole (6160-65-2) → 4-(4-isothiocyanato-phenyl)morpholine (51317-66-9)

Guidance literature:

In dichloromethane; at 20 ℃; for 1h;

DOI:10.1016/j.bioorg.2019.103248

upstream raw materials:

4-morpholino-4-yl-phenylamine

thiophosgene

carbon disulfide

1,1'-Thiocarbonyldiimidazole

Downstream raw materials:

4-[4-(morpholin-4-yl)-phenyl]-1-[5-isopropyl-2,4-bis(methoxymethoxy)benzoyl]thiosemicarbazide

4-[4-(morpholin-4-yl)-phenyl]-1-[5-bromo-2,4-bis(methoxymethoxy)benzoyl]thiosemicarbazide

C₂₅H₃₄N₄O₄S

C₁₉H₁₉N₅O₂S

Refernces

• 1、 Anuradha,Patel, Sagarkumar,Patle, Rajkumar,Parameswaran, Preethi,Jain, Alok,Shard, Amit. "Design, computational studies, synthesis and biological evaluation of thiazole-based molecules as anticancer agents". . p. 20 - 30. Retrieved 2019/04/25.
• 2、 -. "8 - SUBSTITUTED 2 -AMINO - [1,2,4] TRIAZOLO [1, 5 -A] PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS". Page/Page column 77; 78. . Retrieved 2013/09/12.