[1-(Hydroxymethyl)-4-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate

Base Information

Chemical Name:[1-(Hydroxymethyl)-4-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate
CAS No.:898-81-7
Molecular Formula:C₁₇H₂₄O₄S
Molecular Weight:324.441
Hs Code.:
NSC Number:176173
DSSTox Substance ID:DTXSID30306421
Wikidata:Q82053522

Synonyms:898-81-7;NSC176173;DTXSID30306421;[1-(hydroxymethyl)-4-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate;NSC-176173

Suppliers and Price of [1-(Hydroxymethyl)-4-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate

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

Total 6 raw suppliers

Chemical Property of [1-(Hydroxymethyl)-4-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate

Chemical Property:

Vapor Pressure:1.42E-09mmHg at 25°C
Boiling Point:468.4°Cat760mmHg
Flash Point:237.1°C
Density:1.243g/cm³
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:324.13953042
Heavy Atom Count:22
Complexity:461

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)OCC23CCC(CC2)(CC3)CO

Technology Process of [1-(Hydroxymethyl)-4-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate

There total 6 articles about [1-(Hydroxymethyl)-4-bicyclo[2.2.2]octanyl]methyl 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: 74.2%

: 826-45-9
Bicyclo<2.2.2>octane-1,4-dimethanol

: 98-59-9
p-toluenesulfonyl chloride

: 898-81-7
Bicyclo<2.2.2>octane-1,4-dimethanol p-Toluenesulfonate

: 88412-20-8
Bicyclo<2.2.2>octane-1,4-dimethanol Bis(p-toluene-sulfonate)

Guidance literature:: With pyridine; for 48h;
DOI:10.1021/jo00178a018

Reference yield:

: 843-59-4
Diethyl 2,5-Dioxobicyclo<2.2.2>octane-1,4-dicarboxylate

: 898-81-7
Bicyclo<2.2.2>octane-1,4-dimethanol p-Toluenesulfonate

Guidance literature:: Multi-step reaction with 4 steps

1: 85 percent / HCl / CHCl₃ / 7 h / 0 °C

2: 71 percent / Raney Nickel

3: 98 percent / LiAlH₄ / diethyl ether / 5 h / Heating

4: 74.2 percent / Pyridine / 48 h

With pyridine; hydrogenchloride; lithium aluminium tetrahydride; nickel; In diethyl ether; chloroform;
DOI:10.1021/jo00178a018

Reference yield:

: 1686-98-2
2,5-Bis-ethylendimercapto-bicyclo<2,2,2>octan-1,4-dicarbonsaeure-diethylester

: 898-81-7
Bicyclo<2.2.2>octane-1,4-dimethanol p-Toluenesulfonate

Guidance literature:: Multi-step reaction with 3 steps

1: 99 percent / Raney Nickel

2: 98 percent / LiAlH₄ / diethyl ether / 5 h / Heating

3: 74.2 percent / Pyridine / 48 h

With pyridine; lithium aluminium tetrahydride; nickel; In diethyl ether;
DOI:10.1021/jo00178a018