Azetidin-3-yl methanesulfonate hydrochloride

Base Information

• Chemical Name: Azetidin-3-yl methanesulfonate hydrochloride
• CAS No.: 36476-89-8
• Molecular Formula: C4H10ClNO3S
• Molecular Weight: 187.647
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50474999
• Mol file: 36476-89-8.mol

Synonyms:36476-89-8;Azetidin-3-yl methanesulfonate hydrochloride;3-Methanesulfonatoazetidine hydrochloride;3-Azetidinol methanesulfonate HCl;azetidin-3-yl methanesulfonate;hydrochloride;SCHEMBL2522607;AMY4431;DTXSID50474999;NPTBMYLQOZSOQT-UHFFFAOYSA-N;MFCD08062423;ZB0886;AKOS006285223;PB42649;Azetidin-3-ylmethanesulfonatehydrochloride;BS-42870;CS-0184093;A50751;3-methanesulfonatoazetidine hydrochloride, AldrichCPR;3-azetidinol, methanesulfonate (ester), hydrochloride

Chemical Property of Azetidin-3-yl methanesulfonate hydrochloride

Chemical Property:

• Melting Point: 104-106°C
• PSA: 63.78000
• LogP: 1.14600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 187.0069920
• Heavy Atom Count: 10
• Complexity: 177

Purity/Quality:

98.5% ^*data from raw suppliers

3-METHANESULFONATOAZETIDINE HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)OC1CNC1.Cl

Technology Process of Azetidin-3-yl methanesulfonate hydrochloride

There total 4 articles about Azetidin-3-yl methanesulfonate hydrochloride 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: 100.0%

1-benzhydryl-3-azetidinyl methanesulfonate (33301-41-6) → azetidin-3-yl methanesulfonate hydrochloride (36476-89-8)

Guidance literature:

1-benzhydryl-3-azetidinyl methanesulfonate; With carbonochloridic acid 1-chloro-ethyl ester; In dichloromethane; for 2.5h; Heating / reflux;

With methanol; for 2.5h; Heating / reflux;

Reference yield: 95.0%

N-benzyl-3-methanesulfonyloxyazetidine hydrochloride → azetidin-3-yl methanesulfonate hydrochloride (36476-89-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; water; at 20 ℃; for 20h; under 3000.24 Torr;

DOI:10.1248/cpb.54.1408

Reference yield: 86.0%

1-(Diphenylmethyl)-3-azetidinol methanesulfonate (ester) hydrochloride (106859-45-4) → azetidin-3-yl methanesulfonate hydrochloride (36476-89-8)

Guidance literature:

With hydrogen; palladium dihydroxide; In ethanol; for 2.5h; under 2689.2 Torr;

DOI:10.1021/jo00024a001

upstream raw materials:

1-(Diphenylmethyl)-3-azetidinol methanesulfonate (ester) hydrochloride

1-benzhydryl-3-azetidinyl methanesulfonate

Downstream raw materials:

C₁₃H₁₇NO₄S

C₁₉H₂₂FN₃O₃

3-methanesulfonyloxy-azetidine-1-carboxylic acid tert-butyl ester

Methanesulfonic acid 1-(4-methyl-benzoyl)-azetidin-3-yl ester

Refernces

• 1、 -. "CARBOXAMIDE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS". Page/Page column 59-60. . Retrieved 2008/06/13.
• 2、 -. "Substituted triazole derivatives as oxytocin antagonists". Page/Page column 21. . Retrieved 2008/06/13.