CAS 70987-78-9|(2S)-(+)-Glycidyl tosylate|(2S)-oxiran-2-ylmethyl 4-methylbenzene-1-sulfonate|(S)-(+)-Oxirane-2-methanol p-toluenesulfonate|(S)-(+)-环氧乙烷-2-甲醇对甲苯磺酸酯|(S)-(+)-Glycidyl p-tolu...

General Information

Structure

Molecular Formula

C₁₀H₁₂O₄S

Molecular Mass

228.26488

Exact Mass

228.04562986

Charge

InChI

InChI=1S/C10H12O4S/c1-8-2-4-10(5-3-8)15(11,12)14-7-9-6-13-9/h2-5,9H,6-7H2,1H3/t9-/m0/s1

InChIKey

NOQXXYIGRPAZJC-VIFPVBQESA-N

Canonic Smiles

Cc1ccc(cc1)S(=O)(=O)OC[C@H]1OC1

Isomeric Smiles

S(=O)(=O)(c1ccc(cc1)C)OC[C@@H]1CO1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.8868012

LogD (pH = 7.4)

1.8868012

Log P

1.8868012

Molar Refractivity

54.9487

Polarizability

22.457752

Polar Surface Area

55.9

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

(S)-(+)-对甲苯磺酸缩水甘油酯(S)-(+)-Oxirane-2-methanol p-toluenesulfonate(S)-(+)-Glycidyl p-toluenesulfonate(2S)-(+)-Glycidyl tosylate(2S)-(+)-缩水甘油对甲苯磺酸酯(S)-(+)-环氧乙烷-2-甲醇对甲苯磺酸酯(2S)-2-Oxiranemethanol 2-(4-Methylbenzenesulfonate)(S)-Oxiran-2-ylmethyl Toluene-4-sulfonate(S)-(2,3-Epoxypropan-1-yl) 4-Methylbenzenesulfonate(+)-Glycidyl Tosylate(S)-Toluene-4-sulfonic Scid Oxiranylmethyl Ester(S)-(+)-Oxiran-2-ylmethyl 4-Methylbenzenesulfonate(2S)-(+)-Glycidyl Tosylate(2S)-Oxiran-2-ylmethyl 4-methylbenzenesulphonate(2S)-(+)-Glycidyl tosylate(S)-Oxiran-2-ylMethyl 4-Methylbenzenesulfonate

IUPAC name

(2S)-oxiran-2-ylmethyl 4-methylbenzene-1-sulfonate [(2S)-oxiran-2-yl]methyl 4-methylbenzene-1-sulfonate

IUPAC Traditional name

(2S)-oxiran-2-ylmethyl 4-methylbenzenesulfonate

Names and Identifiers

Registration numbers

PubChem SID

CAS Number

EC Number

Beilstein Number

MDL Number

PubChem CID

Registration numbers

Properties

Safety Information

Irritant

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Product Information

98%

97%

C10H12O4S

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Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

540129

Application
Used in the first enantioselective synthesis of (R)- and (S)-4-acetyl-3-(hydroxymethyl)-3,4-dihydro-2H-pyrido[3,2-b]oxazines.1
Packaging
5, 25 g in glass bottle
Legal Information
Manufactured under license by Shasun Chemicals and Drugs Limited, using Jacobsen HKR technology.

TRC

G616001

Protected Glycidol, used as an intermediate in the preparation of neurochemicals.

Molecule Details

References

PubChem Literature

From Data Sources

• Li, Y., et al.: Bioorg. Med. Chem. Lett., 19, 5037 (2005)

• Qian, L., et al.: ChemMedChem, 1, 376 (2005)

• Wang, J., et al.: J. Med. Chem., 48, 6271 (2005)

References

Bioactivity