1-(2-Morpholinoethyl)-3-phenylthiourea

Base Information

• Chemical Name: 1-(2-Morpholinoethyl)-3-phenylthiourea
• CAS No.: 57723-02-1
• Molecular Formula: C13H19N3OS
• Molecular Weight: 265.37
• Hs Code.: 2934999090
• European Community (EC) Number: 659-162-1
• NSC Number: 105695
• DSSTox Substance ID: DTXSID10973312
• Nikkaji Number: J93.289B
• ChEMBL ID: CHEMBL547804
• Mol file: 57723-02-1.mol

Synonyms:57723-02-1;1-(2-Morpholinoethyl)-3-phenylthiourea;((2-Morpholin-4-ylethyl)amino)(phenylamino)methane-1-thione;TCMDC-123845;1-(2-morpholin-4-ylethyl)-3-phenylthiourea;C13H19N3OS;1-(2-(4-Morpholino)ethyl)-3-phenyl-2-thiourea;Urea, 1-(2-(4-morpholino)ethyl)-3-phenyl-2-thio-;1-[2-(morpholin-4-yl)ethyl]-3-phenylthiourea;3-[2-(morpholin-4-yl)ethyl]-1-phenylthiourea;1-[2-(4-Morpholino)ethyl]-3-phenyl-2-thiourea;Urea, 1-[2-(4-morpholino)ethyl]-3-phenyl-2-thio-;BRN 0019077;[(2-morpholin-4-ylethyl)amino](phenylamino)methane-1-thione;NSC105695;((2-Morpholin-4-ylethyl)amino)-(phenylamino)methane-1-thione;CBMicro_042205;NCIOpen2_007232;Oprea1_423054;Thiourea, N-[2-(4-morpholinyl)ethyl]-N'-phenyl-;CHEMBL547804;SCHEMBL5451782;DTXSID10973312;HMS1611N06;WLN: T6N DOTJ A2MYUS&MR;MFCD01185502;STK144112;STK970600;AKOS001048897;MS-7696;NSC 105695;NSC-105695;BIM-0041926.P001;CS-0355880;n-[2-(4-morpholinyl)ethyl]-n'-phenylthiourea;A917609;AF-615/00110001;Z45796196;N-[2-(4-morpholinyl)ethyl]-N'-phenylcarbamimidothioic acid;N'-[2-(Morpholin-4-yl)ethyl]-N-phenylcarbamimidothioic acid;N-[2-(morpholin-4-yl)ethyl]-N'-phenylcarbamimidothioic acid

Chemical Property of 1-(2-Morpholinoethyl)-3-phenylthiourea

Chemical Property:

• Vapor Pressure: 1.67E-06mmHg at 25°C
• Melting Point: 136 °C
• Boiling Point: 396.8°C at 760 mmHg
• PKA: 12.65±0.70(Predicted)
• Flash Point: 193.8°C
• PSA: 68.62000
• Density: 1.204g/cm³
• LogP: 1.70700
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 265.12488341
• Heavy Atom Count: 18
• Complexity: 251

Purity/Quality:

97% ^*data from raw suppliers

((2-Morpholin-4-ylethyl)amino)-(phenylamino)methane-1-thione 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1CCNC(=S)NC2=CC=CC=C2

Technology Process of 1-(2-Morpholinoethyl)-3-phenylthiourea

There total 2 articles about 1-(2-Morpholinoethyl)-3-phenylthiourea 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: 97.0%

4-(2-AMINOETHYL)MORPHOLINE (2038-03-1) + phenyl isothiocyanate (103-72-0) → 1-(2-morpholinoethyl)-3-phenylthiourea (57723-02-1)

Guidance literature:

With isatoic anhydride resin; In dichloromethane; Ambient temperature; 1.) 14 h; 2.) 90 min;

DOI:10.1016/S0040-4039(98)01778-X

Reference yield:

→ 1-(2-morpholinoethyl)-3-phenylthiourea (57723-02-1)

Guidance literature:

/BRN= 11201/;

Reference yield:

1-(2-morpholinoethyl)-3-phenylthiourea (57723-02-1) + 2-Chloromethylbenzoyl chloride (42908-86-1) → 3-(2-morpholin-4-yl-ethylimino)-4-phenyl-3,4-dihydro-1H-benzo[e][1,3]thiazepin-5-one (57723-14-5)

Guidance literature:

With sodium carbonate; In acetone;

DOI:10.1248/cpb.23.1764

upstream raw materials:

4-(2-AMINOETHYL)MORPHOLINE

phenyl isothiocyanate

Downstream raw materials:

3-(2-morpholin-4-yl-ethylimino)-4-phenyl-3,4-dihydro-1H-benzo[e][1,3]thiazepin-5-one