2,3-Dihydro-1-benzofuran-2-ylmethyl 4-methylbenzenesulfonate

Base Information

• Chemical Name: 2,3-Dihydro-1-benzofuran-2-ylmethyl 4-methylbenzenesulfonate
• CAS No.: 94709-25-8
• Molecular Formula: C16H16O4S
• Molecular Weight: 304.367
• Hs Code.: 2932999099
• European Community (EC) Number: 640-752-2
• DSSTox Substance ID: DTXSID60555900
• Mol file: 94709-25-8.mol

Synonyms:94709-25-8;2,3-dihydro-1-benzofuran-2-ylmethyl 4-methylbenzenesulfonate;(2,3-Dihydrobenzofuran-2-yl)methyl 4-methylbenzenesulfonate;2,3-Dihydro-1-benzofuran-2-ylmethyl4-methylbenzenesulfonate;2-Benzofuranmethanol, 2,3-dihydro-, 4-methylbenzenesulfonate;(2,3-Dihydro-1-benzofuran-2-yl)methyl 4-methylbenzene-1-sulfonate;JQUXYELOVDQVSW-UHFFFAOYSA-N;SCHEMBL5968789;DTXSID60555900;2,3-Dihydro-1-benzofuran-2-ylmethyl-4-methylbenzenesulfonate;MFCD06797505;AKOS027384246;2-(Tosyloxy)methyl-2,3-dihydrobenzofuran;CS-0362799;EN300-7046051;(2,3-Dihydrobenzofuran-2-yl)methyl4-methylbenzenesulfonate;2,3-Dihydrobenzo[b]furan-2-ylmethyl 4-methylbenzenesulphonate;2-Benzofuranmethanol,2,3-dihydro-,2-(4-methylbenzenesulfonate)

Chemical Property of 2,3-Dihydro-1-benzofuran-2-ylmethyl 4-methylbenzenesulfonate

Chemical Property:

• Vapor Pressure: 2.21E-08mmHg at 25°C
• Melting Point: 71.5-73.5 °C
• Refractive Index: 1.584
• Boiling Point: 465 °C at 760 mmHg
• Flash Point: 235 °C
• PSA: 60.98000
• Density: 1.271 g/cm³
• LogP: 3.78480
• Solubility.: Dichloromethane, Ethyl Acetate, Methanol, Tetrahydrofuran
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 304.07693016
• Heavy Atom Count: 21
• Complexity: 434

Purity/Quality:

98%min ^*data from raw suppliers

2-(Tosyloxy)methyl-2,3-dihydrobenzofuran ^*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)OCC2CC3=CC=CC=C3O2
• Uses: Protected 2-Hydroxymethyl-2,3-dihydrobenzofuran (H947870), a reactant in the preparation of thromboxane A2 agonist indane derivatives.

Technology Process of 2,3-Dihydro-1-benzofuran-2-ylmethyl 4-methylbenzenesulfonate

There total 3 articles about 2,3-Dihydro-1-benzofuran-2-ylmethyl 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:

o-Allylphenol (1745-81-9) → (2,3-dihydrobenzofuran-2-yl)methyl 4-methylbenzenesulfonate (94709-25-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) m-CPBA, 2.) K₂CO₃

2: Et₃N

With potassium carbonate; triethylamine; 3-chloro-benzenecarboperoxoic acid;

DOI:10.1016/S0960-894X(99)00014-1

Reference yield:

2-hydroxymethyl-1H-2,3-dihydrobenzofuran (66158-96-1) + p-toluenesulfonyl chloride (98-59-9) → (2,3-dihydrobenzofuran-2-yl)methyl 4-methylbenzenesulfonate (94709-25-8)

Guidance literature:

With triethylamine;

DOI:10.1016/S0960-894X(99)00014-1

Reference yield:

→ (2,3-dihydrobenzofuran-2-yl)methyl 4-methylbenzenesulfonate (94709-25-8)

Guidance literature:

2-Hydroxymethyl-cumaran, p-Toluolsulfonylchlorid in Py.;

DOI:10.1021/jo01056a507

upstream raw materials:

2-hydroxymethyl-1H-2,3-dihydrobenzofuran

p-toluenesulfonyl chloride

o-Allylphenol

Downstream raw materials:

4-chloro-N-(2,3-dihydro-benzofuran-2-ylmethyl)-benzenesulfonamide

Refernces