Ethyl 4-(morpholin-4-ylcarbamothioylamino)benzoate

Base Information

• Chemical Name: Ethyl 4-(morpholin-4-ylcarbamothioylamino)benzoate
• CAS No.: 6195-66-0
• Molecular Formula: C₃₄H₃₆O₆
• Molecular Weight: 540.656
• DSSTox Substance ID: DTXSID40358057
• Wikidata: Q82138331
• ChEMBL ID: CHEMBL1549820
• Mol file: 6195-66-0.mol

Synonyms:6195-66-0;Oprea1_855184;ethyl 4-(morpholin-4-ylcarbamothioylamino)benzoate;MLS000666647;CHEMBL1549820;DTXSID40358057;HMS2518K23;STK097694;AKOS000958308;SMR000268570;AB00104056-01;SR-01000230384;SR-01000230384-1;ethyl 4-[(morpholin-4-ylcarbamothioyl)amino]benzoate;ethyl 4-{[(4-morpholinylamino)carbonothioyl]amino}benzoate

Chemical Property of Ethyl 4-(morpholin-4-ylcarbamothioylamino)benzoate

Chemical Property:

• Vapor Pressure: 5.91E-08mmHg at 25°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 309.11471265
• Heavy Atom Count: 21
• Complexity: 353

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=S)NN2CCOCC2

Technology Process of Ethyl 4-(morpholin-4-ylcarbamothioylamino)benzoate

There total 48 articles about Ethyl 4-(morpholin-4-ylcarbamothioylamino)benzoate 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: 82.0%

1,2,3,6-tetra-O-benzyl-4,5-bis-O-(4-methoxybenzyl)-myo-inositol → rac-1,2,3,4-Tetra-O-benzyl-myo-inositol (6195-66-0,13035-64-8,24558-76-7,24558-77-8,26276-99-3,28140-40-1,97465-26-4,109584-31-8,110550-24-8,110550-26-0,115116-22-8,131233-74-4,141040-35-9,141040-41-7,142436-07-5)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In dichloromethane; water; at 20 ℃; for 6h;

DOI:10.1016/j.tet.2005.01.124

Reference yield: 79.0%

1,2,5,6-tetra-O-benzyl-3,4-bis-O-(4-methoxybenzyl)-myo-inositol → (+/-)-1,2,5,6-tetra-O-benzyl-myo-inositol (6195-66-0,13035-64-8,24558-76-7,24558-77-8,26276-99-3,28140-40-1,97465-26-4,109584-31-8,110550-24-8,110550-26-0,115116-22-8,131233-74-4,141040-35-9,141040-41-7,142436-07-5)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In dichloromethane; water; at 20 ℃; for 1h;

DOI:10.1016/j.tetlet.2004.02.080

Reference yield: 16.5%

(2R,3R,4S,5R)-2,3,4,5-Tetrakis-benzyloxy-7-oxa-bicyclo[4.1.0]heptane → rac-1,2,3,4-Tetra-O-benzyl-myo-inositol (6195-66-0,13035-64-8,24558-76-7,24558-77-8,26276-99-3,28140-40-1,97465-26-4,109584-31-8,110550-24-8,110550-26-0,115116-22-8,131233-74-4,141040-35-9,141040-41-7,142436-07-5) + DL-1,2,3,6-tetra-O-benzyl-allo-inositol

Guidance literature:

With trifluoroacetic acid; In tetrahydrofuran; at 50 ℃;

DOI:10.1016/S0960-894X(99)00348-0

upstream raw materials:

5,6-di-O-allyl-1,2,3,4-tetra-O-benzyl-myo-inositol

5,6-di-O-acetyl-1,2,3,4-tetra-O-benzyl-myo-inositol

DL-1,4-Di-O-benzyl-5,6-bis-O-(4-methoxybenzyl)-myo-inositol

benzyl bromide

Downstream raw materials:

2-O,3-O,4-O,5-O-tetrabenzyl-L-myo-inositol

3,4,5,6-tetra-O-benzyl inositol

(1S,2R,3R,4S)-cyclohex-5-ene-1,2,3,4-tetrayltetrakis(oxy)tetrakis(methylene)tetrabenzene

C₅₄H₆₀O₁₂