2,3-Dihydro-1,4-benzodioxin-2-ylmethyl methanesulfonate

Base Information

• Chemical Name: 2,3-Dihydro-1,4-benzodioxin-2-ylmethyl methanesulfonate
• CAS No.: 7031-65-4
• Molecular Formula: C10H12O5S
• Molecular Weight: 244.268
• NSC Number: 97891
• DSSTox Substance ID: DTXSID301184517
• Mol file: 7031-65-4.mol

Synonyms:7031-65-4;2,3-dihydro-1,4-benzodioxin-2-ylmethyl methanesulfonate;NSC97891;SCHEMBL1545420;DTXSID301184517;NSC-97891;2-benzodioxanylmethyl methanesulfonate;AKOS015957849;2-methanesulfonyloxymethyl-1,4-benzodioxan;2-methanesulfonyloxymethyl- 1,4-benzodioxan;EN300-237280;2,3-dihydro-1,4-benzodioxin-2-methanol methanesulfonate;2,3-dihydro-1,4-benzodioxin-2-ylmethylmethanesulfonate;F2147-0160;(2,3-dihydro-1,4-benzodioxin-2-yl)methyl methanesulfonate;1,4-Benzodioxin-2-methanol, 2,3-dihydro-, 2-methanesulfonate

Chemical Property of 2,3-Dihydro-1,4-benzodioxin-2-ylmethyl methanesulfonate

Chemical Property:

• Vapor Pressure: 1.53E-06mmHg at 25°C
• Boiling Point: 409.5°C at 760 mmHg
• Flash Point: 201.4°C
• Density: 1.332g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 244.04054465
• Heavy Atom Count: 16
• Complexity: 321

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)OCC1COC2=CC=CC=C2O1

Technology Process of 2,3-Dihydro-1,4-benzodioxin-2-ylmethyl methanesulfonate

There total 2 articles about 2,3-Dihydro-1,4-benzodioxin-2-ylmethyl methanesulfonate 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: 90.0%

methanesulfonyl chloride (124-63-0) + 2-hydroxymethyl-2,3-dihydrobenzo[1,4]dioxin (3663-82-9) → 2-hydroxymethyl-2,3-dihydro-4H-1,4-benzodioxine methanesulfonate (7031-65-4)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1016/j.tetasy.2003.09.012

Reference yield:

→ 2-hydroxymethyl-2,3-dihydro-4H-1,4-benzodioxine methanesulfonate (7031-65-4)

Guidance literature:

2-Hydroxymethyl-5,6-benzo-1,4-dioxan in Py., Methansulfonylchlorid;

Reference yield: 76.0%

2-bromo-4-hydroxybenzoic acid methyl ester (101085-03-4) + 2-hydroxymethyl-2,3-dihydro-4H-1,4-benzodioxine methanesulfonate (7031-65-4) → C17H15BrO5 (1613316-32-7)

Guidance literature:

2-bromo-4-hydroxybenzoic acid methyl ester; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

2-hydroxymethyl-2,3-dihydro-4H-1,4-benzodioxine methanesulfonate; In N,N-dimethyl-formamide; at 60 ℃; for 18h;

DOI:10.1016/j.bmcl.2014.04.078

upstream raw materials:

methanesulfonyl chloride

2-hydroxymethyl-2,3-dihydrobenzo[1,4]dioxin

Downstream raw materials:

(3-Benzyl-3H-imidazo[4,5-b]pyridin-2-yl)-[1-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-piperidin-4-yl]-amine

1-[(2,3-dihydro-4H-1,4-benzodioxin)-2-ylmethyl]-4-(4-methoxy-benzoyl)piperidine

C₁₇H₁₅BrO₅

C₂₈H₃₁NO₆S₂