(R)-3-aminooxetan-2-one 4-methylbenzenesulfonate

Base Information

• Chemical Name: (R)-3-aminooxetan-2-one 4-methylbenzenesulfonate
• CAS No.: 149572-97-4
• Molecular Formula: C10H13NO5S
• Molecular Weight: 0
• Hs Code.: 2932209090
• DSSTox Substance ID: DTXSID20703864
• ChEMBL ID: CHEMBL2111946
• Mol file: 149572-97-4.mol

Synonyms:149572-97-4;(R)-3-aminooxetan-2-one 4-methylbenzenesulfonate;(R)-3-Amino-2-oxetanone p-toluenesulfonic acid salt;(3R)-3-aminooxetan-2-one;4-methylbenzenesulfonic acid;2-Oxetanone, 3-amino-, (R)-, 4-methylbenzenesulfonate;(R)-3-Aminooxetan-2-one4-methylbenzenesulfonate;CHEMBL2111946;DTXSID20703864;ZFA57297;FD1163;MFCD11519131;AKOS016843195;AC-23832;(3R)-3-Aminooxetan-2-one 4-methylbenzenesulfonic acid;(3R)-3-Aminooxetan-2-one;4-Methylbenzene-1-sulfonic acid--(3R)-3-aminooxetan-2-one (1/1)

Chemical Property of (R)-3-aminooxetan-2-one 4-methylbenzenesulfonate

Chemical Property:

• PSA: 115.07000
• LogP: 1.89330
• Storage Temp.: 2-8°C(protect from light)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 259.05144369
• Heavy Atom Count: 17
• Complexity: 287

Purity/Quality:

NLT 98% ^*data from raw suppliers

(R)-3-Aminooxetan-2-one4-methylbenzenesulfonate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C1C(C(=O)O1)N
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C1[C@H](C(=O)O1)N

Technology Process of (R)-3-aminooxetan-2-one 4-methylbenzenesulfonate

There total 6 articles about (R)-3-aminooxetan-2-one 4-methylbenzenesulfonate 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: 97.0%

(S)-3-(tert-butoxycarbonylamino)-oxetan-2-one (98541-64-1) → (S)-3-amino-2-oxetanone p-toluenesulfonic acid salt (112839-95-9,149572-97-4)

Guidance literature:

With toluene-4-sulfonic acid; trifluoroacetic acid; at 0 - 5 ℃; for 10h;

DOI:10.1021/ja00215a038

Reference yield: 97.0%

N-(tert-butyloxycarbonyl)-D-serine β-lactone (98541-64-1,132340-68-2,126330-77-6) + toluene-4-sulfonic acid (104-15-4) → (R)-2-oxo-3-oxetanylammonium toluene-4-sulfonate (149572-97-4)

Guidance literature:

In trifluoroacetic acid; at 0 ℃; for 0.25h;

DOI:10.1021/jo9520194

Reference yield: 97.0%

→ (S)-3-amino-2-oxetanone p-toluenesulfonic acid salt (112839-95-9,149572-97-4)

Guidance literature:

upstream raw materials:

(S)-3-(tert-butoxycarbonylamino)-oxetan-2-one

toluene-4-sulfonic acid

3(S)-<(triphenylmethyl)amino>-2-oxetanone

(S)-N-(tert-butoxycarbonyl)serine

Downstream raw materials:

L-azidoalanine hydrochloride

Refernces

• 1、 Duranti, Andrea,Tontini, Andrea,Antonietti, Francesca,Vacondio, Federica,Fioni, Alessandro,Silva, Claudia,Lodola, Alessio,Rivara, Silvia,Solorzano, Carlos,Piomelli, Daniele,Tarzia, Giorgio,Mor, Marco. "N -(2-Oxo-3-oxetanyl)carbamic acid esters as N-acylethanolamine acid amidase inhibitors: Synthesis and structure-activity and structure-property relationships". scheme or table. p. 4824 - 4836. Retrieved 2012/07/03.
• 2、 -. "PEPTIDE NUCLEIC ACID CONJUGATES". . . Retrieved 2008/06/13.