4-(3-Bromophenylsulfonyl)morpholine

Base Information

• Chemical Name: 4-(3-Bromophenylsulfonyl)morpholine
• CAS No.: 871269-13-5
• Molecular Formula: C10H12BrNO3S
• Molecular Weight: 306.18
• Hs Code.: 2934999090
• European Community (EC) Number: 802-164-6
• DSSTox Substance ID: DTXSID20395167
• Wikidata: Q82195074
• Mol file: 871269-13-5.mol

Synonyms:871269-13-5;4-(3-Bromophenylsulfonyl)morpholine;4-((3-Bromophenyl)sulfonyl)morpholine;4-(3-bromophenyl)sulfonylmorpholine;4-[(3-Bromophenyl)sulphonyl]morpholine;Morpholine,4-[(3-bromophenyl)sulfonyl]-;4-[(3-bromophenyl)sulfonyl]morpholine;4-(3-bromobenzenesulfonyl)morpholine;SCHEMBL100316;DTXSID20395167;BMAMBBTZMVECJZ-UHFFFAOYSA-N;WJB26913;MFCD07363828;AKOS008939950;AB30854;AM87279;4-(3-Bromo-benzenesulfonyl)-morpholine;4-(3-Bromobenzene-1-sulfonyl)morpholine;NCGC00181885-01;NCGC00181885-02;BS-24092;CS-0212982;4-[(3-BROMOBENZENE)SULFONYL]MORPHOLINE;V10140;AB01285337-01;Z45515852

Chemical Property of 4-(3-Bromophenylsulfonyl)morpholine

Chemical Property:

• Vapor Pressure: 1.67E-07mmHg at 25°C
• Melting Point: 132-136
• Refractive Index: 1.596
• Boiling Point: 427.2 °C at 760 mmHg
• Flash Point: 212.2 °C
• PSA: 54.99000
• Density: 1.594g/cm³
• LogP: 2.48870
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 304.97213
• Heavy Atom Count: 16
• Complexity: 321

Purity/Quality:

98%min ^*data from raw suppliers

4-(3-Bromophenylsulfonyl)morpholine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: C1COCCN1S(=O)(=O)C2=CC(=CC=C2)Br

Technology Process of 4-(3-Bromophenylsulfonyl)morpholine

There total 5 articles about 4-(3-Bromophenylsulfonyl)morpholine 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: 98.0%

→ 4-((3-bromophenyl)sulfonyl)morpholine (871269-13-5)

Guidance literature:

Reference yield: 85.0%

morpholine (110-91-8,99108-56-2) + 3-Bromobenzenesulfonyl chloride (2905-24-0) → 4-((3-bromophenyl)sulfonyl)morpholine (871269-13-5)

Guidance literature:

With pyridine; dmap; In dichloromethane; at 20 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1021/jacs.1c12199

Reference yield: 40.0%

morpholine (110-91-8,99108-56-2) + (3-bromophenyl)boronic acid (89598-96-9) → 4-((3-bromophenyl)sulfonyl)morpholine (871269-13-5)

Guidance literature:

With 4,4'-Dimethoxy-2,2'-bipyridin; 1,4-diazabicyclo [2.2.2] octane-1,4-diium-1,4-disulfinate; copper(II) bis(trifluoromethanesulfonate); caesium carbonate; dimethyl sulfoxide; at 130 ℃; for 16h; Inert atmosphere; Sealed tube;

DOI:10.1021/jacs.8b04532

upstream raw materials:

1-Bromo-3-iodobenzene

morpholine

(3-bromophenyl)boronic acid

3-Bromobenzenesulfonyl chloride

Downstream raw materials:

8-chloro-3-methyl-4-{3-[3-(morpholin-4-ylsulfonyl)phenoxy]phenyl}quinoline

4-[3-(quinoxalin-6-yl)phenylsulfonyl]morpholine

Refernces

• 1、 Chen, Yiding,Murray, Philip R. D.,Davies, Alyn T.,Willis, Michael C.. "Direct Copper-Catalyzed Three-Component Synthesis of Sulfonamides". supporting information. p. 8781 - 8787. Retrieved 2018/07/29.
• 2、 -. "FUSED PYRAZINE DERIVATIVES AS KINASE INHIBITORS". Page/Page column 45. . Retrieved 2010/06/11.