(4-Bromophenyl)-morpholin-4-ylmethanethione

Base Information

• Chemical Name: (4-Bromophenyl)-morpholin-4-ylmethanethione
• CAS No.: 61750-21-8
• Molecular Formula: C11H12BrNOS
• Molecular Weight: 286.192
• DSSTox Substance ID: DTXSID30355656
• Wikidata: Q82134676
• ChEMBL ID: CHEMBL2262745

Synonyms:61750-21-8;(4-bromophenyl)-morpholin-4-ylmethanethione;4-(4-Bromothiobenzoyl)morpholine;(4-BROMOPHENYL)(MORPHOLINO)METHANETHIONE;Morpholine, 4-[(4-bromophenyl)thioxomethyl]-;STK221374;(4-bromophenyl)(morpholin-4-yl)methanethione;SCHEMBL8424996;CHEMBL2262745;4-(4-bromobenzothioyl)morpholine;DTXSID30355656;AC9076;BDBM50487503;MFCD01077234;AKOS000348135;WAY-296631;SY262032;AF-731/00083030;SR-01000222342;SR-01000222342-1

Chemical Property of (4-Bromophenyl)-morpholin-4-ylmethanethione

Chemical Property:

• Melting Point: 135-136 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
• Boiling Point: 364.3±52.0 °C(Predicted)
• PSA: 44.56000
• Density: 1.509±0.06 g/cm3(Predicted)
• LogP: 2.39470
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 284.98230
• Heavy Atom Count: 15
• Complexity: 223

Purity/Quality:

(4-Bromophenyl)(morpholino)methanethione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1C(=S)C2=CC=C(C=C2)Br

Technology Process of (4-Bromophenyl)-morpholin-4-ylmethanethione

There total 8 articles about (4-Bromophenyl)-morpholin-4-ylmethanethione 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: 99.2%

morpholine (110-91-8,99108-56-2) + 4-bromo-benzaldehyde (1122-91-4) → 4-(4-Bromothiobenzoyl)morpholine (61750-21-8)

Guidance literature:

With sulfur; In N,N-dimethyl-formamide; at 110 ℃; for 2.5h;

Reference yield: 91.0%

(4-bromophenyl)(6-nitrobenzotriazol-1-yl)methanethione (865073-44-5) + morpholine (110-91-8,99108-56-2) → 4-(4-Bromothiobenzoyl)morpholine (61750-21-8)

Guidance literature:

With triethylamine; In dichloromethane;

DOI:10.1021/jo050670t

Reference yield: 69.0%

4-<(Diphenylphosphinoyl)(4-bromophenyl)methyl>morpholine (162274-49-9) → 4-(4-Bromothiobenzoyl)morpholine (61750-21-8)

Guidance literature:

With n-butyllithium; sulfur; In tetrahydrofuran; hexane; at 0 ℃; for 0.333333h;

upstream raw materials:

morpholine

(4-bomophenyl)(methyl)sulfide

4-bromo-benzaldehyde

4-<(Diphenylphosphinoyl)(4-bromophenyl)methyl>morpholine

Downstream raw materials:

(4-bromophenyl)(morpholino)methanone

3,6-bis-(4-bromo-phenyl)-1,4-dihydro-[1,2,4,5]tetrazine

4-(p-bromo-α-methylthiobenzylidene)morpholinium iodide

4-methyl-N-((4-bromophenyl)(morpholino)methylene)benzensulfonamide

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