Pent-3-yn-1-yl 4-methylbenzenesulfonate

Base Information

Chemical Name:Pent-3-yn-1-yl 4-methylbenzenesulfonate
CAS No.:3329-88-2
Molecular Formula:C12H14 O3 S
Molecular Weight:238.307
Hs Code.:2905290000
NSC Number:116063
DSSTox Substance ID:DTXSID90297462
Nikkaji Number:J1.454.607C
Wikidata:Q82038565
Mol file:3329-88-2.mol

Synonyms:3329-88-2;pent-3-yn-1-yl 4-methylbenzenesulfonate;pent-3-ynyl 4-methylbenzenesulfonate;1-(p-Tosyloxy)-3-pentyne;NSC116063;SCHEMBL8370835;DTXSID90297462;NSC-116063;FT-0747627;pent-3-yn-1-yl 4-methylbenzene-1-sulfonate;EN300-12001222

Suppliers and Price of Pent-3-yn-1-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

Total 5 raw suppliers

Chemical Property of Pent-3-yn-1-yl 4-methylbenzenesulfonate

Chemical Property:

Vapor Pressure:2.08E-05mmHg at 25°C
Melting Point:39 °C
Boiling Point:372.3°Cat760mmHg
Flash Point:178.9°C
PSA：51.75000
Density:1.172g/cm³
LogP:3.19450
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:238.06636548
Heavy Atom Count:16
Complexity:358

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC#CCCOS(=O)(=O)C1=CC=C(C=C1)C

Technology Process of Pent-3-yn-1-yl 4-methylbenzenesulfonate

There total 3 articles about Pent-3-yn-1-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%

: 10229-10-4
pent-3-yn-1-ol

: 98-59-9
p-toluenesulfonyl chloride

: 3329-88-2
pent-3-yn-1-yl 4-methylbenzenesulfonate

Guidance literature:: With dmap; triethylamine; Inert atmosphere;
DOI:10.1039/c2ob07042a

Reference yield:

: 54106-83-1
pent-3-ynyl triflate

: 3329-88-2
pent-3-yn-1-yl 4-methylbenzenesulfonate

Guidance literature:: Multi-step reaction with 2 steps

1: Na₂CO₃ / various solvent(s) / 24 h / 80 °C

2: 69 percent / pyridine / 1.) 1 h, room temp., 2.) 24 h, refrigerator

With sodium carbonate; In pyridine;
DOI:10.1021/jo00174a021