Tolciclate

Base Information

Chemical Name:Tolciclate
CAS No.:50838-36-3
Molecular Formula:C20H21NOS
Molecular Weight:323.459
Hs Code.:2930909090
European Community (EC) Number:256-792-5
DSSTox Substance ID:DTXSID0057758
Nikkaji Number:J4.426A
Wikipedia:Tolciclate
Wikidata:Q2253370
NCI Thesaurus Code:C152679
ChEMBL ID:CHEMBL2105485
Mol file:50838-36-3.mol

Synonyms:Fungifos;KC 9147;Kilmicen;O-(1,2,3,4-tetrahydro-1,4-methanonaphthalen-6- yl) m-N-dimethylthiocarbanilate;tolciclate

Suppliers and Price of Tolciclate

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
TOLCICLATE 95.00%
5MG
$ 496.07

Total 8 raw suppliers

Chemical Property of Tolciclate

Chemical Property:

Vapor Pressure:3.41E-08mmHg at 25°C
Melting Point:92-94°
Refractive Index:1.5800 (estimate)
Boiling Point:447.3°Cat760mmHg
PKA:-0.42±0.50(Predicted)
Flash Point:224.3°C
PSA：44.56000
Density:1.231g/cm³
LogP:5.15980
XLogP3:5.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:323.13438547
Heavy Atom Count:23
Complexity:453

Purity/Quality:

99% ^*data from raw suppliers

TOLCICLATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=CC=C1)N(C)C(=S)OC2=CC3=C(C=C2)C4CCC3C4
Therapeutic Function Topical antimycotic

Technology Process of Tolciclate

There total 8 articles about Tolciclate 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: 85.0%

: 463-71-8
thiophosgene

: 50838-54-5
6-hydroxy-1,2,3,4-tetrahydro-1,4-methanonaphthalene

: 696-44-6
N-methyl-m-toluidine

: 50838-36-3
tolciclate

Guidance literature:: thiophosgene; 6-hydroxy-1,2,3,4-tetrahydro-1,4-methanonaphthalene; With sodium hydroxide; In dichloromethane; water; at 25 ℃; for 1h; Inert atmosphere;

N-methyl-m-toluidine; In dichloromethane; at 25 ℃; for 0.5h; Inert atmosphere;
DOI:10.1002/anie.201608158

Reference yield:

: 7507-86-0
2-bromo-5-methoxy-benzaldehyde

: 50838-36-3
tolciclate

Guidance literature:: Multi-step reaction with 6 steps

1.1: potassium tert-butylate / Inert atmosphere

2.1: zinc / Inert atmosphere

2.2: Inert atmosphere

3.1: tetrakis(triphenylphosphine) palladium⁽⁰⁾ / N,N-dimethyl-formamide / Inert atmosphere

4.1: chlorobis(cyclooctene)rhodium(I) dimer; XPhos / 1,4-dioxane / 72 h / 170 °C / Inert atmosphere; Glovebox

5.1: boron tribromide / dichloromethane / 2.17 h / 0 - 25 °C / Inert atmosphere

6.1: sodium hydroxide / dichloromethane; water / 1 h / 25 °C / Inert atmosphere

6.2: 0.5 h / 25 °C / Inert atmosphere

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; chlorobis(cyclooctene)rhodium(I) dimer; potassium tert-butylate; boron tribromide; sodium hydroxide; zinc; XPhos; In 1,4-dioxane; dichloromethane; water; N,N-dimethyl-formamide;
DOI:10.1002/anie.201608158

Reference yield:

: 139469-06-0
1-bromo-5-dimethoxy-2-vinylbenzene

: 50838-36-3
tolciclate

Guidance literature:: Multi-step reaction with 5 steps

1.1: zinc / Inert atmosphere

1.2: Inert atmosphere

2.1: tetrakis(triphenylphosphine) palladium⁽⁰⁾ / N,N-dimethyl-formamide / Inert atmosphere

3.1: chlorobis(cyclooctene)rhodium(I) dimer; XPhos / 1,4-dioxane / 72 h / 170 °C / Inert atmosphere; Glovebox

4.1: boron tribromide / dichloromethane / 2.17 h / 0 - 25 °C / Inert atmosphere

5.1: sodium hydroxide / dichloromethane; water / 1 h / 25 °C / Inert atmosphere

5.2: 0.5 h / 25 °C / Inert atmosphere

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; chlorobis(cyclooctene)rhodium(I) dimer; boron tribromide; sodium hydroxide; zinc; XPhos; In 1,4-dioxane; dichloromethane; water; N,N-dimethyl-formamide;
DOI:10.1002/anie.201608158