Methyl morpholine-4-carbodithioate

Base Information

• Chemical Name: Methyl morpholine-4-carbodithioate
• CAS No.: 62604-08-4
• Molecular Formula: C6H11NOS2
• Molecular Weight: 177.28800
• Hs Code.: 2934999090
• European Community (EC) Number: 629-667-1
• ChEMBL ID: CHEMBL584158
• DSSTox Substance ID: DTXSID10407728
• Nikkaji Number: J315.970A
• Wikidata: Q82213057
• Mol file: 62604-08-4.mol

Synonyms:methyl morpholine-4-carbodithioate;62604-08-4;Methyl 4-morpholinecarbodithioate;CHEMBL584158;SCHEMBL1638507;DTXSID10407728;beta-naphthylaceticacid,methylester;VJOUSDFNBHXWJA-UHFFFAOYSA-N;BDBM50414931;MFCD00277256;AKOS001593408;SS-2948;CS-0366737;FT-0681257;E86991;J-522616

Chemical Property of Methyl morpholine-4-carbodithioate

Chemical Property:

• Vapor Pressure: 0.00722mmHg at 25°C
• Boiling Point: 269.5oC at 760 mmHg
• Flash Point: 116.8oC
• PSA: 69.86000
• Density: 1.251g/cm3
• LogP: 0.90440
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 177.02820632
• Heavy Atom Count: 10
• Complexity: 123

Purity/Quality:

98%min ^*data from raw suppliers

Methyl morpholine-4-carbodithioate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC(=S)N1CCOCC1

Technology Process of Methyl morpholine-4-carbodithioate

There total 10 articles about Methyl morpholine-4-carbodithioate 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: 89.0%

morpholine (110-91-8,99108-56-2) + carbon disulfide (75-15-0,12122-00-8) → 4-morpholinecarbodithioic acid methyl ester (62604-08-4)

Guidance literature:

morpholine; carbon disulfide; In ethanol; water; for 2h; Cooling with ice; Green chemistry;

methyl halide; In ethanol; water; at 20 ℃; Cooling with ice; Green chemistry;

DOI:10.1007/s11164-017-3167-1

Reference yield: 88.0%

morpholine (110-91-8,99108-56-2) + carbon disulfide (75-15-0,12122-00-8) + dimethyl sulfate (77-78-1) → 4-morpholinecarbodithioic acid methyl ester (62604-08-4)

Guidance literature:

morpholine; carbon disulfide; With sodium hydroxide; In water; at 20 ℃; for 1h; Inert atmosphere;

dimethyl sulfate; In water; at 5 - 20 ℃; for 1h;

Reference yield: 84.0%

morpholine (110-91-8,99108-56-2) + 3-methyl-1-(methyldithiocarbonyl)imidazolium iodide → 4-morpholinecarbodithioic acid methyl ester (62604-08-4)

Guidance literature:

In ethanol; for 2.5h; Heating;

DOI:10.1016/S0040-4020(99)01026-1

upstream raw materials:

morpholine

carbon disulfide

dimethyl sulfate

4-methyl-morpholine

Downstream raw materials:

[(methylsulfanyl)(morpholin-4-yl)methylidene]propanedinitrile

3-amino-2,3-di-morpholin-4-yl-acrylonitrile

N-(2-(dimethylamino)ethyl)-8-(1-(4-fluorophenylamino)ethyl)-2-morpholino-4-oxo-4H-chromene-6-carboxamide

8-(1-(3-chloro-2-fluorophenylamino)ethyl)-N-(2-(dimethylamino)ethyl)-2-morpholino-4-oxo-4H-chromene-6-carboxamide

Refernces

• 1、 Asadipour, Ali,Shams, Zeynab,Eskandari, Khalil,Moshafi, Mohammad-Hassan,Faghih-Mirzaei, Ehsan,Pourshojaei, Yaghoub. "Efficient, straightforward, catalyst-free synthesis of medicinally important S-alkyl/benzyl dithiocarbamates under green conditions". . p. 1295 - 1304. Retrieved 2017/10/30.
• 2、 -. "CHROMENONE DERIVATIVES". Page/Page column 33; 34. . Retrieved 2012/10/23.