Crotamiton

Base Information

• Chemical Name: Crotamiton
• CAS No.: 124236-29-9
• Molecular Formula: C13H17NO
• Molecular Weight: 203.284
• European Community (EC) Number: 207-596-3,806-597-1
• NSC Number: 758951,78382
• UNII: 2EEH27851Y
• DSSTox Substance ID: DTXSID101256463
• Nikkaji Number: J28.784I,J2.055I
• Wikipedia: Crotamiton
• Wikidata: Q2439845
• NCI Thesaurus Code: C65353
• RXCUI: 21766
• Metabolomics Workbench ID: 42660
• ChEMBL ID: CHEMBL1200709
• Mol file: 124236-29-9.mol

Synonyms:crotamiton;Eurax

Chemical Property of Crotamiton

Chemical Property:

• Refractive Index: 1.5400-1.5440
• Boiling Point: 155°C/13mmHg(lit.)
• PSA: 20.31000
• Density: 0.987
• LogP: 2.92400
• Water Solubility.: Soluble in water (1:500), alcohol, methanol, ether, and ethanol.
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 203.131014166
• Heavy Atom Count: 15
• Complexity: 235

Purity/Quality:

98%,99%, ^*data from raw suppliers

trans-Crotamiton ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(C1=CC=CC=C1C)C(=O)C=CC
• Isomeric SMILES: CCN(C1=CC=CC=C1C)C(=O)/C=C/C
• Uses: Crotamiton is an anti-parasitic agent. Crotamiton is used both as a scabicidal (for treating scabies) and as a general antipruritic. Crotamiton was used to study the photocatalytic decomposition of crotamiton in aqueous solution using TiO2. N-Ethyl-o-crotonotoluidide (Crotamiton) was used to treat scabies and various pruritic dermatoses.

Technology Process of Crotamiton

There total 7 articles about Crotamiton 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: 91.6%

trans-chrotonyl chloride (625-35-4,3488-22-0,10487-71-5) + N-ethyl-2-methylaniline (94-68-8) → crotamiton (124236-29-9)

Guidance literature:

With sodium hydroxide; In water; Petroleum ether; at 10 - 70 ℃; for 6.5h; Concentration;

Reference yield:

→ [2-(2,6-dichloroanilino)phenyl]acetic acid (15307-86-5) + crotamiton (124236-29-9)

Guidance literature:

Reference yield:

(E)-but-2-enoic acid (107-93-7) + N-ethyl-2-methylaniline (94-68-8) → crotamiton (124236-29-9)

Guidance literature:

(E)-but-2-enoic acid; With sodium methylate; In methanol; ethylbenzene; at 50 ℃;

N-ethyl-2-methylaniline; With phosphorus trichloride; In ethylbenzene; at 60 - 110 ℃; for 2.5h; Temperature;

upstream raw materials:

N-ethyl-2-methylaniline

crotonyl chloride

trans-chrotonyl chloride

(E)-but-2-enoic acid

Downstream raw materials:

potassium N-ethyl-N-(o-tolyl)-3-(trifluoroborato)butanamide

3-(4-(1H-pyrrol-1-yl)phenyl)-N-ethyl-N-(o-tolyl)butanamide

N-ethyl-3-hydroxy-N-(o-tolyl)butanamide

(R)-N-ethyl-3-hydroxy-N-(o-tolyl)butanamide

Refernces

• 1、 -. "PACKAGING BAG FOR PLASTER AND PACKAGED PLASTER". . . Retrieved 2008/06/13.