3-Isocyanopropyl toluene-p-sulphonate

Base Information

Chemical Name:3-Isocyanopropyl toluene-p-sulphonate
CAS No.:72548-55-1
Molecular Formula:C₁₁H₁₃NO₃S
Molecular Weight:239.295
Hs Code.:
European Community (EC) Number:276-713-8
UNII:5K7EB5JS34
DSSTox Substance ID:DTXSID30222859
Nikkaji Number:J296.324H
Wikidata:Q83101207
Mol file:72548-55-1.mol

Synonyms:3-Isocyanopropyl toluene-p-sulphonate;72548-55-1;EINECS 276-713-8;5K7EB5JS34;3-Isocyanopropyl toluene-p-sulfonate;UNII-5K7EB5JS34;1-tosyloxy-3-isocyanopropane;DTXSID30222859;AKOS015959112;4-Methylbenzenesulfonic acid 3-isocyanopropyl ester;1-Propanol, 3-isocyano-, 1-(4-methylbenzenesulfonate)

Suppliers and Price of 3-Isocyanopropyl toluene-p-sulphonate

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 3 raw suppliers

Chemical Property of 3-Isocyanopropyl toluene-p-sulphonate

Chemical Property:

PSA：51.75000
LogP:2.32120
XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:239.06161445
Heavy Atom Count:16
Complexity:341

Purity/Quality:: 98%Min ^*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)OCCC[N+]#[C-]

Technology Process of 3-Isocyanopropyl toluene-p-sulphonate

There total 3 articles about 3-Isocyanopropyl toluene-p-sulphonate 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: 83.0%

: 49807-74-1
N-(3-hydroxypropyl)formamide

: 98-59-9
p-toluenesulfonyl chloride

: 72548-55-1
3-isocyanopropyl 4-methylbenzenesulfonate

Guidance literature:: With 2,4,6-trimethyl-pyridine; In dichloromethane; at 20 ℃; for 4h;
DOI:10.1055/a-1580-0899

Reference yield:

: 3-formamidopropyl 4-methylbenzenesulfonate

: 72548-55-1
3-isocyanopropyl 4-methylbenzenesulfonate

Guidance literature:: With Burgess Reagent; In dichloromethane; for 2h; Reflux;
DOI:10.1021/acs.orglett.7b03593

Reference yield:

: Toluene-4-sulfonic acid 3-amino-propyl ester

: 72548-55-1
3-isocyanopropyl 4-methylbenzenesulfonate

Guidance literature:: Multi-step reaction with 2 steps

1: 5 h / 110 °C

2: Burgess Reagent / dichloromethane / 2 h / Reflux

With Burgess Reagent; In dichloromethane;
DOI:10.1021/acs.orglett.7b03593