Benzenesulfonic acid, 2-[(4S)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]-

Base Information

Chemical Name:Benzenesulfonic acid, 2-[(4S)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]-
CAS No.:832104-36-6
Molecular Formula:C16H15NO4S
Molecular Weight:317.365
Hs Code.:
DSSTox Substance ID:DTXSID40471513

Synonyms:832104-36-6;(S)-2-(4-Benzyl-4,5-dihydrooxazol-2-yl)benzenesulfonic acid;Benzenesulfonic acid, 2-[(4S)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]-;DTXSID40471513

Suppliers and Price of Benzenesulfonic acid, 2-[(4S)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Benzenesulfonic acid, 2-[(4S)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]-

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:317.07217913
Heavy Atom Count:22
Complexity:505

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(N=C(O1)C2=CC=CC=C2S(=O)(=O)O)CC3=CC=CC=C3
Isomeric SMILES:C1[C@@H](N=C(O1)C2=CC=CC=C2S(=O)(=O)O)CC3=CC=CC=C3

Technology Process of Benzenesulfonic acid, 2-[(4S)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]-

There total 4 articles about Benzenesulfonic acid, 2-[(4S)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]- 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: 86.0%

: 832104-30-0
(S)-2-amino-3-phenylpropyl 2-sulfobenzoate

: 832104-36-6
2-((S)-4-benzyl-4,5-dihydrooxazol-2-yl)benzenesulfonic acid

Guidance literature:: In chlorobenzene; for 16h; Heating;
DOI:10.1002/ejoc.200400562

Reference yield:

: 81-08-3
2-sulfobenzoic acid cyclic anhydride

: 66605-57-0
(S)-N-tert-butoxycarbonyl-2-amino-3-phenylpropanol

: 832104-36-6
2-((S)-4-benzyl-4,5-dihydrooxazol-2-yl)benzenesulfonic acid

Guidance literature:: In chlorobenzene; at 170 ℃;
DOI:10.1002/ejoc.201101336

Reference yield:

: 81-08-3
2-sulfobenzoic acid cyclic anhydride

: 832104-36-6
2-((S)-4-benzyl-4,5-dihydrooxazol-2-yl)benzenesulfonic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 63 percent / acetonitrile / 8 h / Heating

2: 86 percent / chlorobenzene / 16 h / Heating

In chlorobenzene; acetonitrile;
DOI:10.1002/ejoc.200400562