N-(3,4-dichlorophenyl)pyrrolidine-1-carbothioamide

Base Information

Chemical Name:N-(3,4-dichlorophenyl)pyrrolidine-1-carbothioamide
CAS No.:309942-79-8
Molecular Formula:C₁₁H₁₂Cl₂N₂S
Molecular Weight:275.202
Hs Code.:
DSSTox Substance ID:DTXSID101333592
ChEMBL ID:CHEMBL1520478

Synonyms:N-(3,4-dichlorophenyl)pyrrolidine-1-carbothioamide;309942-79-8;MLS001200979;CHEMBL1520478;DTXSID101333592;HMS2858K24;STK130215;AKOS002114563;SMR000564353;SR-01000575347;SR-01000575347-1

Suppliers and Price of N-(3,4-dichlorophenyl)pyrrolidine-1-carbothioamide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of N-(3,4-dichlorophenyl)pyrrolidine-1-carbothioamide

Chemical Property:

XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:274.0098250
Heavy Atom Count:16
Complexity:256

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CCN(C1)C(=S)NC2=CC(=C(C=C2)Cl)Cl

Technology Process of N-(3,4-dichlorophenyl)pyrrolidine-1-carbothioamide

There total 1 articles about N-(3,4-dichlorophenyl)pyrrolidine-1-carbothioamide 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: 92.0%

: 123-75-1
pyrrolidine

: 6590-94-9
3,4-dichlorophenyl isothiocyanate

: 309942-79-8
pyrrolidine-1-carbothioic acid (3,4-dichlorophenyl)amide

Guidance literature:: In dichloromethane; at 25 ℃; for 2h; Inert atmosphere;
DOI:10.1021/jm200111g

Reference yield: 90.0%

: 309942-79-8
pyrrolidine-1-carbothioic acid (3,4-dichlorophenyl)amide

: 74-88-4
methyl iodide

: 1310682-80-4
N-(3,4-dichlorophenyl)pyrrolidine-1-carboximidothioic acid methyl ester

Guidance literature:: pyrrolidine-1-carbothioic acid (3,4-dichlorophenyl)amide; methyl iodide; In acetone; at 60 ℃; for 4h; Inert atmosphere;

In tetrahydrofuran; water; at 25 ℃; Alkaline conditions; Inert atmosphere;
DOI:10.1021/jm200111g

Reference yield:

: 309942-79-8
pyrrolidine-1-carbothioic acid (3,4-dichlorophenyl)amide

: 1310682-63-3
N-(3,4-dichlorophenyl)-N'-(1-isopropyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl)pyrrolidine-1-carboxamidine

Guidance literature:: Multi-step reaction with 2 steps

1.1: acetone / 4 h / 60 °C / Inert atmosphere

1.2: 25 °C / Alkaline conditions; Inert atmosphere

2.1: potassium carbonate / propan-1-ol / Inert atmosphere; Reflux

With potassium carbonate; In propan-1-ol; acetone;
DOI:10.1021/jm200111g