Thenylchlor

Base Information

• Chemical Name: Thenylchlor
• CAS No.: 96491-05-3
• Molecular Formula: C16H18 Cl N O2 S
• Molecular Weight: 323.843
• European Community (EC) Number: 619-219-3
• UNII: T8ET5RE8I8
• DSSTox Substance ID: DTXSID0058227
• Nikkaji Number: J405.449K
• Wikidata: Q27108425
• Metabolomics Workbench ID: 69611
• Mol file: 96491-05-3.mol

Synonyms:Thenylchlor;96491-05-3;Thenylchlor [ISO];UNII-T8ET5RE8I8;T8ET5RE8I8;2-chloro-N-(2,6-dimethylphenyl)-N-[(3-methoxythiophen-2-yl)methyl]acetamide;Thenylchlor 10 microg/mL in Cyclohexane;AC1L9DWZ;2-chloro-N-(2,6-dimethylphenyl)-N-[(3-methoxy-2-thienyl)methyl]acetamide;2-CHLORO-N-(2,6-DIMETHYLPHENYL)-N-((3-METHOXY-2-THIENYL)METHYL)ACETAMIDE;2-chloro-N-(2,6-dimethylphenyl)-N-((3-methoxythiophen-2-yl)methyl)acetamide;SureCN63006;SCHEMBL63006;BIDD:ER0236;CHEBI:9520;DTXSID0058227;NSK-850;Q27108425;2-chloro-n-(3-methoxy-2-thenyl)-2',6'-dimethylacetanilide

Chemical Property of Thenylchlor

Chemical Property:

• Vapor Pressure: 6.44E-09mmHg at 25°C
• Melting Point: 72～80℃
• Boiling Point: 467.6°Cat760mmHg
• PKA: 1.39±0.50(Predicted)
• Flash Point: 236.6°C
• PSA: 57.78000
• Density: 1.249g/cm³
• LogP: 4.14550
• Storage Temp.: 0-6°C
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 323.0746777
• Heavy Atom Count: 21
• Complexity: 345

Purity/Quality:

99.9% ^*data from raw suppliers

THENYLCHLOR 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C)N(CC2=C(C=CS2)OC)C(=O)CCl

Technology Process of Thenylchlor

There total 8 articles about Thenylchlor 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: 97.0%

N-<(3-Methoxy-2-thienyl)methylene>-2,6-dimethylaniline (100304-95-8) + chloroacetyl chloride (79-04-9) → 2-chloro-N-(3-methoxy-2-thenyl)-2',6'-dimethylacetanilide (96491-05-3)

Guidance literature:

With trichlorosilane; In benzene; 1.) 3 h, 40 deg C, 2.) 1 h, r.t.;

DOI:10.1246/bcsj.64.2128

Reference yield: 91.0%

(2,6-Dimethyl-phenyl)-(3-methoxy-thiophen-2-ylmethyl)-amine (96491-04-2) + chloroacetyl chloride (79-04-9) → 2-chloro-N-(3-methoxy-2-thenyl)-2',6'-dimethylacetanilide (96491-05-3)

Guidance literature:

for 10h; Reflux; Green chemistry; Industrial scale;

Reference yield:

1-(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-5-(methyl-2-propynylamino)-1H-pyrazole-4-carbonitrile (158353-15-2) → 2-chloro-N-(3-methoxy-2-thenyl)-2',6'-dimethylacetanilide (96491-05-3)

Guidance literature:

upstream raw materials:

trichlorosilane

N-<(3-Methoxy-2-thienyl)methylene>-2,6-dimethylaniline

chloroacetyl chloride

3-methoxy-2-thiophenecarboxaldehyde

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