1-Tosyl-3-pyrrolidinol Tosylate

Base Information

• Chemical Name: 1-Tosyl-3-pyrrolidinol Tosylate
• CAS No.: 131912-34-0
• Molecular Formula: C18H21NO5S2
• Molecular Weight: 395.5
• DSSTox Substance ID: DTXSID80567065
• Mol file: 131912-34-0.mol

Synonyms:1-Tosyl-3-pyrrolidinol Tosylate;131912-34-0;1-(4-methylbenzenesulfonyl)pyrrolidin-3-yl 4-methylbenzene-1-sulfonate;[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl] 4-methylbenzenesulfonate;3-Pyrrolidinol, 1-[(4-methylphenyl)sulfonyl]-, 3-(4-methylbenzenesulfonate);SCHEMBL3235228;DTXSID80567065;YLPLVVAXXZWTIR-UHFFFAOYSA-N;1-tosyl-3-(R,S)-tosyloxypyrrolidine;AKOS030239747;CS-0242009;EN300-243240;G51631;(RS)-toluene-4-sulfonic acid 1-(toluene-4-sulfonyl)-pyrrolidin-3-yl ester;1-(4-Methylbenzene-1-sulfonyl)pyrrolidin-3-yl 4-methylbenzene-1-sulfonate;1-(4-methylbenzenesulfonyl)pyrrolidin-3-yl4-methylbenzene-1-sulfonate

Chemical Property of 1-Tosyl-3-pyrrolidinol Tosylate

Chemical Property:

• Vapor Pressure: 8.17E-13mmHg at 25°C
• Boiling Point: 565.6oC at 760 mmHg
• Flash Point: 295.9oC
• PSA: 97.51000
• LogP: 4.57140
• Solubility.: Acetone, Dichloromethane, Ethyl Acetate, Methanol
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 395.08611512
• Heavy Atom Count: 26
• Complexity: 663

Purity/Quality:

98%Min ^*data from raw suppliers

1-Tosyl-3-pyrrolidinolTosylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C2)OS(=O)(=O)C3=CC=C(C=C3)C
• Uses: 1-Tosyl-3-pyrrolidinol Tosylate (cas# 131912-34-0) is a compound useful in organic synthesis.

Technology Process of 1-Tosyl-3-pyrrolidinol Tosylate

There total 7 articles about 1-Tosyl-3-pyrrolidinol Tosylate 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:

→ (R)-3-hydroxypyrrolidine hydrochloride (104706-47-0,111810-68-5) + 1-tosylpyrrolidin-3-yl 4-methylbenzenesulfonate (131912-34-0)

Guidance literature:

Reference yield:

pyrrolidin-3-ol (40499-83-0) + p-toluenesulfonyl chloride (98-59-9) → 1-tosylpyrrolidin-3-yl 4-methylbenzenesulfonate (131912-34-0)

Guidance literature:

With pyridine; for 17.5h; Ambient temperature;

DOI:10.1021/jm00114a009

Reference yield:

1-tosyl-3-(R)-(-)-hydroxyprrolidine + methyl p-toluene sulfonate (80-48-8) + diethylazodicarboxylate (1972-28-7,218603-74-8) → 1-tosylpyrrolidin-3-yl 4-methylbenzenesulfonate (131912-34-0)

Guidance literature:

With triphenylphosphine; In tetrahydrofuran;

upstream raw materials:

pyrrolidin-3-ol

p-toluenesulfonyl chloride

3-hydroxypyrrolidine hydrochloride

methyl p-toluene sulfonate

Downstream raw materials:

α,α-bis(4-fluorophenyl)-1-[(4-methylphenyl)sulfonyl]-3-pyrrolidineacetonitrile

1-(4-toluenesulfonyl)-pyrrolidine-3-carbonitrile

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