1-(p-Toluenesulfonyl)azetidine

Base Information

• Chemical Name: 1-(p-Toluenesulfonyl)azetidine
• CAS No.: 7730-45-2
• Molecular Formula: C10H13NO2S
• Molecular Weight: 211.285
• Hs Code.: 2933990090
• NSC Number: 143590
• DSSTox Substance ID: DTXSID80301461
• Nikkaji Number: J105.138E
• Wikidata: Q82045411
• Mol file: 7730-45-2.mol

Synonyms:1-(p-Toluenesulfonyl)azetidine;7730-45-2;1-Tosylazetidine;N-p-Tosylazetidine;1-(p-Tolylsulfonyl)azetidine;1-(4-methylphenyl)sulfonylazetidine;1-[(4-Methylphenyl)sulfonyl]azetidine;Azetidine, 1-(p-tolylsulfonyl)-;Azetidine, 1-[(4-methylphenyl)sulfonyl]-;N-tosyl azetidine;1-(4-methylbenzenesulfonyl)azetidine;NSC143590;CBDivE_013213;M-TOLUIDINEHYDROCHLORIDE;SCHEMBL10409988;DTXSID80301461;VKCBXONEZGIOSP-UHFFFAOYSA-N;STK324706;1-(p-Toluenesulfonyl)azetidine, 97%;AKOS000591525;NSC-143590;FT-0636582;AB00073626-01;SR-01000317261;SR-01000317261-1

Chemical Property of 1-(p-Toluenesulfonyl)azetidine

Chemical Property:

• Vapor Pressure: 0.000104mmHg at 25°C
• Melting Point: 119-122oC(lit.)
• Boiling Point: 337.6°Cat760mmHg
• Flash Point: 158°C
• PSA: 45.76000
• Density: 1.276g/cm³
• LogP: 2.40810
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 211.06669983
• Heavy Atom Count: 14
• Complexity: 282

Purity/Quality:

98%min ^*data from raw suppliers

1-(p-Toluenesulfonyl)azetidine 97% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC2

Technology Process of 1-(p-Toluenesulfonyl)azetidine

There total 19 articles about 1-(p-Toluenesulfonyl)azetidine 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%

4-Methyl-N-(3-phenylselanyl-propyl)-benzenesulfonamide (143590-74-3) → 1-(toluene-4-sulfonyl)azetidine (7730-45-2)

Guidance literature:

With potassium hydroxide; 3-chloro-benzenecarboperoxoic acid; In ethanol; for 1h; Ambient temperature;

DOI:10.1016/0040-4039(92)88089-N

Reference yield: 92.0%

p-toluenesulfonyl chloride (98-59-9) + azetidine hydrogen perchlorate → 1-(toluene-4-sulfonyl)azetidine (7730-45-2)

Guidance literature:

With potassium hydroxide; In tetrahydrofuran; 1.) 0 deg C, 30 min, 2.) RT, 1 h;

DOI:10.1002/jhet.5570300506

Reference yield: 85.0%

perfluorobenzaldehyde (653-37-2) + N-(3-bromo-propyl)-4-methyl-benzenesulfonamide (3245-95-2) → 1-(toluene-4-sulfonyl)azetidine (7730-45-2) + N-tosylpyrrolidinone (10019-95-1)

Guidance literature:

With potassium carbonate; chloro(1,5-cyclooctadiene)rhodium(I) dimer; 1,3-bis-(diphenylphosphino)propane; In xylene; at 130 ℃; for 18h;

DOI:10.1016/j.jorganchem.2006.08.038

upstream raw materials:

N-(3-chloropropyl)-4-methylbenzenesulfonamide

azetidine

N-tosyl 3-tosylate-1-propylamine

N-(3-bromo-propyl)-4-methyl-benzenesulfonamide

Downstream raw materials:

2-acetoxy-1-(p-tolylsulfonyl)azetidine

propan-1-ol-3-amine

4-methyl-N-(3-(5-methyl-1H-indol-3-yl)propyl)benzenesulfonamide

C₂₁H₂₄N₂O₄S