3-Chloromethylthiochromone-1,1-dioxide

Base Information

Chemical Name:3-Chloromethylthiochromone-1,1-dioxide
CAS No.:77694-48-5
Molecular Formula:C10H7 Cl O3 S
Molecular Weight:242.683
Hs Code.:2930909090
NSC Number:332184
UNII:N6D8A8X665
DSSTox Substance ID:DTXSID90228317
Wikidata:Q83108286
ChEMBL ID:CHEMBL54492
Mol file:77694-48-5.mol

Synonyms:3-(chloromethyl)thiochromone 1,1-dioxide;3-chloromethylthiochromone 1,1-dioxide;3-CMTCD

Suppliers and Price of 3-Chloromethylthiochromone-1,1-dioxide

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

American Custom Chemicals Corporation
3-(CHLOROMETHYL)THIOCHROMONE 1,1-DIOXIDE 95.00%
5MG
$ 496.71

Total 6 raw suppliers

Chemical Property of 3-Chloromethylthiochromone-1,1-dioxide

Chemical Property:

Vapor Pressure:8.93E-08mmHg at 25°C
Boiling Point:435.2°C at 760 mmHg
Flash Point:217°C
PSA：59.59000
Density:1.488g/cm³
LogP:2.86010
XLogP3:1.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:241.9804429
Heavy Atom Count:15
Complexity:405

Purity/Quality:

99% ^*data from raw suppliers

3-(CHLOROMETHYL)THIOCHROMONE 1,1-DIOXIDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C(=O)C(=CS2(=O)=O)CCl

Technology Process of 3-Chloromethylthiochromone-1,1-dioxide

There total 2 articles about 3-Chloromethylthiochromone-1,1-dioxide 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: 62.0%

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 22810-27-1
1-thiochromone 1,1-dioxide

: 77694-48-5
3-(chloromethyl)thiochromone 1,1-dioxide

Guidance literature:: With hydrogenchloride; In acetic acid; Ambient temperature;
DOI:10.1021/jm00139a017

Reference yield:

: 491-39-4
thiochromen-4-one

: 77694-48-5
3-(chloromethyl)thiochromone 1,1-dioxide

Guidance literature:: Multi-step reaction with 2 steps

1: 78 percent / m-cloroperbenzoic acid / CH₂Cl₂ / 3 h / 10 °C

2: 62 percent / HCl / acetic acid / Ambient temperature

With hydrogenchloride; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; acetic acid;
DOI:10.1021/jm00139a017