Heptadecan-9-yl 4-methylbenzenesulfonate

Base Information

Chemical Name:Heptadecan-9-yl 4-methylbenzenesulfonate
CAS No.:949898-99-1
Molecular Formula:C₂₄H₄₂O₃S
Molecular Weight:410.662
Hs Code.:
DSSTox Substance ID:DTXSID50705053
Nikkaji Number:J3.134.948F
Wikidata:Q72481212
Mol file:949898-99-1.mol

Synonyms:heptadecan-9-yl 4-methylbenzenesulfonate;949898-99-1;SCHEMBL2374757;DTXSID50705053;WUZFVFUKQALPIJ-UHFFFAOYSA-N;AMY27114;AB9413;MFCD14635845;heptadecan-9-yl4-methylbenzenesulfonate;p-Toluenesulfonic acid 1-octylnonyl ester;CS-0197768;Heptadecan-9-yl 4-methylbenzene-1-sulfonate;toluene-4-sulfonic acid 1-octyl-nonyl ester

Suppliers and Price of Heptadecan-9-yl 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

Crysdot
Heptadecan-9-yl4-methylbenzenesulfonate 97%
25g
$ 1181.00

American Custom Chemicals Corporation
HEPTADECAN-9-YL 4-METHYLBENZENESULFONATE 95.00%
5MG
$ 502.66

Total 7 raw suppliers

Chemical Property of Heptadecan-9-yl 4-methylbenzenesulfonate

Chemical Property:

Boiling Point:505.3±19.0 °C(Predicted)
PSA：51.75000
Density:0.981±0.06 g/cm3(Predicted)
LogP:8.65090
XLogP3:9.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:17
Exact Mass:410.28546637
Heavy Atom Count:28
Complexity:431

Purity/Quality:

97% ^*data from raw suppliers

Heptadecan-9-yl4-methylbenzenesulfonate 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCC(CCCCCCCC)OS(=O)(=O)C1=CC=C(C=C1)C

Technology Process of Heptadecan-9-yl 4-methylbenzenesulfonate

There total 4 articles about Heptadecan-9-yl 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: 100.0%

: 624-08-8
9-heptadecanol

: 98-59-9
p-toluenesulfonyl chloride

: 949898-99-1
9-(4-methylbenzenesulfonate)-9-heptadecanol

Guidance literature:: With trimethylamine hydrochloride; triethylamine; In dichloromethane; at 20 ℃; Cooling with ice;
DOI:10.1002/anie.201912556

Reference yield:

: 111-83-1
1-bromo-octane

: 949898-99-1
9-(4-methylbenzenesulfonate)-9-heptadecanol

Guidance literature:: Multi-step reaction with 2 steps

1.1: magnesium / diethyl ether / 1 h / 20 °C

1.2: -78 - 20 °C

2.1: trimethylamine hydrochloride; triethylamine / dichloromethane / 2 h / 20 °C

With trimethylamine hydrochloride; magnesium; triethylamine; In diethyl ether; dichloromethane;
DOI:10.1002/pola.24235

Reference yield:

: 17049-49-9
octylmagnesium bromide

: 949898-99-1
9-(4-methylbenzenesulfonate)-9-heptadecanol

Guidance literature:: Multi-step reaction with 2 steps

1: tetrahydrofuran; diethyl ether / -78 - 20 °C / Inert atmosphere

2: triethylamine; trimethylamine hydrochloride / dichloromethane / 1.5 h / 0 °C / Inert atmosphere

With trimethylamine hydrochloride; triethylamine; In tetrahydrofuran; diethyl ether; dichloromethane;
DOI:10.1021/ja309524f