4-Morpholinesulfenyl chloride

Base Information

• Chemical Name: 4-Morpholinesulfenyl chloride
• CAS No.: 2958-89-6
• Molecular Formula: C4H8 Cl N O S
• Molecular Weight: 153.633
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00485853
• Nikkaji Number: J681.383F
• Wikidata: Q82325436
• Mol file: 2958-89-6.mol

Synonyms:morpholin-N-sulfenylchloride;4-MORPHOLINESULFENYL CHLORIDE;2958-89-6;(4-morpholinyl)sulphenyl chloride;morpholinosulfenyl chloride;N-(chlorosulfenyl)morpholine;SCHEMBL5735058;DTXSID00485853;KWTCAZADHRCBIP-UHFFFAOYSA-N

Chemical Property of 4-Morpholinesulfenyl chloride

Chemical Property:

• Refractive Index: 1.6000 (estimate)
• Boiling Point: 64-66 °C(Press: 0.5 Torr)
• PKA: -2.74±0.20(Predicted)
• PSA: 37.77000
• Density: 1.232 (estimate)
• LogP: 1.05850
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 153.0015127
• Heavy Atom Count: 8
• Complexity: 67.1

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): 3
• Hazard Codes: 3:
• Safety Statements: An unstable explosive. When heated to decomposition it emits toxic f"> −, SOx, and NOx. See also CHLORIDES." target="_blank">An unstable explosive. When heated to decomposition it emits toxic f

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1SCl

Technology Process of 4-Morpholinesulfenyl chloride

There total 2 articles about 4-Morpholinesulfenyl chloride 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: 70.0%

methyl morpholinosulfenate (62161-79-9) → N-(chlorosulfanyl)morpholine (2958-89-6) + benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0)

Guidance literature:

With benzoyl chloride; at 20 - 25 ℃;

DOI:10.1007/BF00962782

Reference yield:

morpholine (110-91-8,99108-56-2) + methyl isocyanate (624-83-9) → N-(chlorosulfanyl)morpholine (2958-89-6) + triethylamine hydrochloride (554-68-7)

Guidance literature:

With sulphur dichloride; hydrogen fluoride; triethylamine; In dichloromethane; N-methyl-carbamic acid fluoride; polyethylene;

Reference yield: 99.0%

N-(chlorosulfanyl)morpholine (2958-89-6) + L(-)mentylphenylhydrogen phosphonate (S) (54088-45-8,136087-28-0,136088-02-3) → (R)-Phenyl-phosphonodithioic acid O-((1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl) ester S-morpholin-4-yl ester (136025-93-9)

Guidance literature:

With triethylamine; In hexane; for 1h; Ambient temperature;

DOI:10.1016/S0040-4020(98)00529-8

upstream raw materials:

methyl morpholinosulfenate

morpholine

methyl isocyanate

Downstream raw materials:

4-(ethoxy-phenyl-phosphinothioylsulfanyl)-morpholine

2,2,2-trifluoro-1-phenyl-ethanone S-morpholin-4-yl-thiooxime

4-(isopropoxy-phenyl-phosphinothioylsulfanyl)-morpholine

4-(phenyl-propoxy-phosphinothioylsulfanyl)-morpholine

Refernces

• 1、 -. "N-Aminosulfenyl carbamate compounds, compositions and use". . . Retrieved 2008/06/13.