2-Bromo-1-(4-morpholinophenyl)ethanone

Base Information

• Chemical Name: 2-Bromo-1-(4-morpholinophenyl)ethanone
• CAS No.: 210832-85-2
• Molecular Formula: C12H14BrNO2
• Molecular Weight: 284.153
• Hs Code.: 2934999090
• European Community (EC) Number: 640-703-5
• DSSTox Substance ID: DTXSID30383631
• Nikkaji Number: J985.106B
• Wikidata: Q72448256
• ChEMBL ID: CHEMBL1801624
• Mol file: 210832-85-2.mol

Synonyms:210832-85-2;2-BROMO-1-(4-MORPHOLINOPHENYL)ETHANONE;2-Bromo-1-(4-morpholinophenyl)-1-ethanone;2-bromo-1-(4-morpholin-4-ylphenyl)ethanone;CHEMBL1801624;2-bromo-1-[4-(4-morpholinyl)phenyl]ethanone;2-bromo-1-[4-(morpholin-4-yl)phenyl]ethan-1-one;2-bromo-1-(4-morpholinophenyl)ethan-1-one;SCHEMBL541208;DTXSID30383631;OUGMZFJPRSTGMJ-UHFFFAOYSA-N;AMY24836;alpha-bromo-4'-morpholinoacetophenone;BDBM50347522;MFCD03783555;AKOS015836071;BS-22062;PD136224;A4572;CS-0207486;FT-0611346;2-bromanyl-1-(4-morpholin-4-ylphenyl)ethanone;A815125;W-206594

Chemical Property of 2-Bromo-1-(4-morpholinophenyl)ethanone

Chemical Property:

• Vapor Pressure: 3.18E-07mmHg at 25°C
• Melting Point: 112 °C
• Refractive Index: 1.581
• Boiling Point: 418.845 °C at 760 mmHg
• Flash Point: 207.111 °C
• PSA: 29.54000
• Density: 1.439 g/cm³
• LogP: 2.16580
• Storage Temp.: Keep Cold
• Sensitive.: Lachrymatory
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 283.02079
• Heavy Atom Count: 16
• Complexity: 233

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-1-(4-morpholinophenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 36/37/38-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

Useful:

• Canonical SMILES: C1COCCN1C2=CC=C(C=C2)C(=O)CBr

Technology Process of 2-Bromo-1-(4-morpholinophenyl)ethanone

There total 2 articles about 2-Bromo-1-(4-morpholinophenyl)ethanone 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: 93.0%

2,2-Dibromo-1-(4-morpholin-4-yl-phenyl)-ethanone (210832-82-9) → 2-bromo-1-(4-(piperidin-1-yl)-phenyl)ethan-1-one (210832-85-2)

Guidance literature:

With Diethyl phosphonate; triethylamine; In tetrahydrofuran; 0 deg C; RT, 6 h;

DOI:10.1016/S0040-4039(98)00975-7

Reference yield: 42.0%

4-morpholinoacetophenone (39910-98-0) → 2-bromo-1-(4-(piperidin-1-yl)-phenyl)ethan-1-one (210832-85-2)

Guidance literature:

With bromine; In chloroform; at 0 ℃; for 2h;

DOI:10.1021/jm1016279

Reference yield: 85.0%

3,4-dihydro-2H-1,5-benzodioxepine-7-carbaldehydethiosemicarbazone + 2-bromo-1-(4-(piperidin-1-yl)-phenyl)ethan-1-one (210832-85-2) → 4-(4-morpholinophenyl)-2-[2-((3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methylene)hydrazinyl]thiazole

Guidance literature:

In ethanol; for 6h; Reflux;

DOI:10.1016/j.bioorg.2020.104110

upstream raw materials:

2,2-Dibromo-1-(4-morpholin-4-yl-phenyl)-ethanone

4-morpholinoacetophenone

Downstream raw materials:

2-(4-morpholinophenyl)-2-oxoethyl acetate

4-[4-(1H-imidazol-4-yl)phenyl]morpholine

C₁₉H₁₉N₃O₂S

C₁₉H₁₈FN₃OS

Refernces

• 1、 -. "SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES". Page/Page column 14-15; 49. . Retrieved 2019/11/12.
• 2、 Moreira, Diogo Rodrigo Magalhaes,Lima Leite, Ana Cristina,Cardoso, Marcos Verissimo Oliveira,Srivastava, Rajendra Mohan,Hernandes, Marcelo Zaldini,Rabello, Marcelo Montenegro,Da Cruz, Luana Faria,Ferreira, Rafaela Salgado,De Simone, Carlos Alberto,Meira, Cassio Santana,Guimaraes, Elisalva Teixeira,Da Silva, Aline Caroline,Dos Santos, Thiago Andre Ramos,Pereira, Valeria Rego Alves,Pereira Soares, Milena Botelho. "Structural design, synthesis and structure-activity relationships of thiazolidinones with enhanced anti-Trypanosoma cruzi activity". supporting information. p. 177 - 188. Retrieved 2014/01/17.