4-((Chloromethyl)sulfonyl)morpholine

Base Information

• Chemical Name: 4-((Chloromethyl)sulfonyl)morpholine
• CAS No.: 39542-27-3
• Molecular Formula: C5H10ClNO3S
• Molecular Weight: 199.658
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80363660
• Wikidata: Q82147402
• Mol file: 39542-27-3.mol

Synonyms:39542-27-3;4-((chloromethyl)sulfonyl)morpholine;4-(chloromethylsulfonyl)morpholine;4-CHLOROMETHANESULFONYL-MORPHOLINE;4-chloromethanesulfonylmorpholine;AKOS BC-3092;MFCD05859184;4-[(chloromethyl)sulfonyl]morpholine;SCHEMBL4960397;DTXSID80363660;4-(Chloromethanesulfonyl)morpholine;STK724584;AKOS000272933;SB37009;CS-0271984;4-Chloromethanesulfonyl-morpholine, AldrichCPR;EN300-237833;F1983-0010

Chemical Property of 4-((Chloromethyl)sulfonyl)morpholine

Chemical Property:

• Melting Point: 71 °C(Solv: ethanol (64-17-5))
• Boiling Point: 315.0±52.0 °C(Predicted)
• PKA: -7.98±0.20(Predicted)
• PSA: 54.99000
• Density: 1.45±0.1 g/cm3(Predicted)
• LogP: 0.86340
• Storage Temp.: 2-8°C
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 199.0069920
• Heavy Atom Count: 11
• Complexity: 204

Purity/Quality:

97% ^*data from raw suppliers

4-Chloromethanesulfonyl-morpholine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1S(=O)(=O)CCl

Technology Process of 4-((Chloromethyl)sulfonyl)morpholine

There total 2 articles about 4-((Chloromethyl)sulfonyl)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: 78.0%

morpholine (110-91-8,99108-56-2) + monochloromethanesulfonyl chloride (3518-65-8) → 4-chloromethanesulfonyl-morpholine (39542-27-3)

Guidance literature:

In chloroform; at 0 - 20 ℃; for 1.333h;

DOI:10.1007/s11172-019-2393-7

Reference yield:

→ 4-chloromethanesulfonyl-morpholine (39542-27-3)

Guidance literature:

DOI:10.1039/c29710000588 DOI:10.1021/jo00952a032 DOI:10.1021/jo00816a034

Reference yield: 75.0%

4-chlorobenzonitrile (100-00-5) + 4-chloromethanesulfonyl-morpholine (39542-27-3) → 5-chloro-2-nitrobenzyl 4-morpholinyl sulfone (69709-37-1)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; for 1h; Ambient temperature;

DOI:10.1021/jo00183a003

upstream raw materials:

morpholine

monochloromethanesulfonyl chloride

Downstream raw materials:

4-(2-anilino-2-phenyl-ethenesulfonyl)-morpholine

4-(1-chloro-2-hydroxy-2-phenyl-ethanesulfonyl)-morpholine

4-(trans-3-phenyl-oxiranesulfonyl)-morpholine

5-chloro-2-nitrobenzyl 4-morpholinyl sulfone