4-(2-Morpholinoethyl)-3-thiosemicarbazide

Base Information

• Chemical Name: 4-(2-Morpholinoethyl)-3-thiosemicarbazide
• CAS No.: 77644-45-2
• Molecular Formula: C7H16 N4 O S
• Molecular Weight: 204.296
• Hs Code.: 2934999090
• European Community (EC) Number: 673-717-5
• NSC Number: 370370
• DSSTox Substance ID: DTXSID70352962
• Nikkaji Number: J2.339.381F
• Mol file: 77644-45-2.mol

Synonyms:4-(2-Morpholinoethyl)-3-thiosemicarbazide;77644-45-2;1-amino-3-(2-morpholin-4-ylethyl)thiourea;4-[2-(4-morpholino)ethyl]-3-thiosemicarbazide;4-[2-(4-morpholinyl)ethyl]-3-thiosemicarbazide;4-(2-morpholinoethyl)thiosemicarbazide;3-amino-1-[2-(morpholin-4-yl)ethyl]thiourea;n-[2-(morpholin-4-yl)ethyl]hydrazinecarbothioamide;NSC370370;SCHEMBL6210691;DTXSID70352962;OBGPRENQQPWJOC-UHFFFAOYSA-N;CDA64445;MFCD00041220;AKOS001044592;FS-4788;NSC-370370;FT-0628997;FT-0628998;EN300-17195;N12024;A839152;Z56899068

Chemical Property of 4-(2-Morpholinoethyl)-3-thiosemicarbazide

Chemical Property:

• Vapor Pressure: 8.5E-05mmHg at 25°C
• Melting Point: 168-170°C
• Boiling Point: 340.6°C at 760 mmHg
• Flash Point: 159.8°C
• PSA: 94.64000
• Density: 1.209g/cm³
• LogP: 0.07640
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 204.10448232
• Heavy Atom Count: 13
• Complexity: 161

Purity/Quality:

99% ^*data from raw suppliers

4-(2-Morpholinoethyl)-3-thiosemicarbazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R22:Harmful if swallowed.; R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R22:Harmful if swallowed.; R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1CCNC(=S)NN

Technology Process of 4-(2-Morpholinoethyl)-3-thiosemicarbazide

There total 3 articles about 4-(2-Morpholinoethyl)-3-thiosemicarbazide 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: 92.0%

2-morpholinoethyl isothiocyanate (63224-35-1) → 4-(2-morpholinoethyl)thiosemicarbazide (77644-45-2)

Guidance literature:

With hydrazine; In methanol; for 24h; Ambient temperature;

DOI:10.1016/0223-5234(96)88215-8

Reference yield:

4-(2-AMINOETHYL)MORPHOLINE (2038-03-1) + hydrazinecarbodithioic acid methyl ester (5397-03-5) → 4-(2-morpholinoethyl)thiosemicarbazide (77644-45-2)

Guidance literature:

In water; for 0.75h; Heating;

DOI:10.1021/jm00347a006

Reference yield:

4-(2-AMINOETHYL)MORPHOLINE (2038-03-1) → 4-(2-morpholinoethyl)thiosemicarbazide (77644-45-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: triethylamine / ethanol / 3 h / 20 °C

1.2: 0.5 h / 20 °C

2.1: hydrazine hydrate / dichloromethane / 2 h / 20 °C

With hydrazine hydrate; triethylamine; In ethanol; dichloromethane;

DOI:10.1016/j.ejmech.2019.111764

upstream raw materials:

4-(2-AMINOETHYL)MORPHOLINE

hydrazinecarbodithioic acid methyl ester

2-morpholinoethyl isothiocyanate

Refernces

• 1、 Siatra-Papastaikoudi,Tsotinis,Raptopoulou,Sambani,Thomou. "Synthesis of new alkylaminoalkyl thiosemicarbazones of 3-acetylindole and their effect on DNA synthesis and cell proliferation". . p. 107 - 114. Retrieved 2007/10/02.