(S)-3-Butene-1,2-diol-1-(p-toluenesulfonate)

Base Information

Chemical Name:(S)-3-Butene-1,2-diol-1-(p-toluenesulfonate)
CAS No.:133095-74-6
Molecular Formula:C11H14O4S
Molecular Weight:242.296
Hs Code.:29309099
European Community (EC) Number:622-828-7
DSSTox Substance ID:DTXSID50927935
Nikkaji Number:J1.130.533D
Wikidata:Q82902649
Mol file:133095-74-6.mol

Synonyms:133095-74-6;(S)-3-Butene-1,2-diol-1-(p-toluenesulfonate);(S)-1-Tosyloxy-3-buten-1-ol;3-Butene-1,2-diol, 1-(4-methylbenzenesulfonate), (2S)-;[(2S)-2-hydroxybut-3-enyl] 4-methylbenzenesulfonate;(S)-2-Hydroxy-3-butenyl tosylate;SCHEMBL4621363;DTXSID50927935;YQSCDBZHHLIPOI-JTQLQIEISA-N;MFCD00145259;AKOS015890121;(S)-2-hydroxybut-3-enyl 4-methylbenzenesulfonate;J-006311;2-Hydroxybut-3-en-1-yl 4-methylbenzene-1-sulfonate;(S)-4-[[(4-Methylphenyl)sulfonyl]oxy]-1-butene-3-ol;(S)-toluene-4-sulfonic acid 2-hydroxy-but-3-enyl ester;3-Butene-1,2-diol,1-(4-methylbenzenesulfonate),(2S)-;(S)-3-Butene-1,2-diol-1-(p-toluenesulfonate), >=99.0% (HPLC)

Suppliers and Price of (S)-3-Butene-1,2-diol-1-(p-toluenesulfonate)

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Sigma-Aldrich
(S)-3-Butene-1,2-diol-1-(p-toluenesulfonate) ≥99.0% (HPLC)
1g
$ 438.00

American Custom Chemicals Corporation
(S)-3-BUTENE-1,2-DIOL-1-(PARA-TOLUENESULFONATE) 95.00%
1G
$ 307.27

Total 14 raw suppliers

Chemical Property of (S)-3-Butene-1,2-diol-1-(p-toluenesulfonate)

Chemical Property:

Appearance/Colour:white to light yellow crystal powder
Vapor Pressure:4.65E-07mmHg at 25°C
Melting Point:58-63 °C
Refractive Index:1.541
Boiling Point:398.3 °C at 760 mmHg
PKA:13.01±0.20(Predicted)
Flash Point:194.7 °C
PSA：71.98000
Density:1.234 g/cm³
LogP:2.32800
Storage Temp.:2-8°C
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:242.06128010
Heavy Atom Count:16
Complexity:309

Purity/Quality:

97% ^*data from raw suppliers

(S)-3-Butene-1,2-diol-1-(p-toluenesulfonate) ≥99.0% (HPLC) ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)OCC(C=C)O
Isomeric SMILES:CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](C=C)O

Technology Process of (S)-3-Butene-1,2-diol-1-(p-toluenesulfonate)

There total 11 articles about (S)-3-Butene-1,2-diol-1-(p-toluenesulfonate) 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: 87.0%

: 62214-39-5,86161-40-2
(2S)-but-3-ene-1,2-diol

: 98-59-9
p-toluenesulfonyl chloride

: 133095-74-6
(S)-2-hydroxy-3-buten-1-yl p-tosylate

Guidance literature:: With di(n-butyl)tin oxide; triethylamine; In dichloromethane; at 0 ℃; for 6h;
DOI:10.1039/c2ra22122e

Reference yield: 47.0%

: 138332-13-5
2-hydroxy-3-butenyl-4-methyl-1-benzenesulfonate

: 133095-74-6
(S)-2-hydroxy-3-buten-1-yl p-tosylate

: 138249-07-7
2-hydroxy-(2R)-3-butenyl-4-methyl-1-benzenesulfonate

: (2R,3S)-1-tosyloxy-3,4-epoxybutan-2-ol

Guidance literature:: 2-hydroxy-3-butenyl-4-methyl-1-benzenesulfonate; With D-(-)-diisopropyl tartrate; In dichloromethane; at 20 ℃; for 0.5h; Molecular sieve;

With tert.-butylhydroperoxide; titanium tetrachloride; In dichloromethane; benzene; at -20 ℃; for 48h; optical yield given as %ee;

Reference yield: 42.0%

: 138249-06-6
(±)-2-acetoxybut-3-enyl tosylate

: 133095-74-6
(S)-2-hydroxy-3-buten-1-yl p-tosylate

: 138249-07-7
2-hydroxy-(2R)-3-butenyl-4-methyl-1-benzenesulfonate

: 138332-14-6
(S)-1-tosyloxy-2-acetyloxy-3-butene

Guidance literature:: With Lipase PS; In aq. phosphate buffer; at 30 ℃; for 1h; pH=6.5; enantioselective reaction; Enzymatic reaction;
DOI:10.1016/j.tet.2018.05.087