2-(2-Chlorobenzyl)thiophene

Base Information

• Chemical Name: 2-(2-Chlorobenzyl)thiophene
• CAS No.: 91064-17-4
• Molecular Formula: C11H9ClS
• Molecular Weight: 208.7072
• NSC Number: 99448
• DSSTox Substance ID: DTXSID80295053
• Wikidata: Q82034731
• Mol file: 91064-17-4.mol

Synonyms:91064-17-4;2-(2-chlorobenzyl)thiophene;NSC99448;SCHEMBL646103;DTXSID80295053;NSC-99448

Chemical Property of 2-(2-Chlorobenzyl)thiophene

Chemical Property:

• Vapor Pressure: 0.00342mmHg at 25°C
• Boiling Point: 291.4°Cat760mmHg
• Flash Point: 171.9°C
• Density: 1.225g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 208.0113492
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CC2=CC=CS2)Cl

Technology Process of 2-(2-Chlorobenzyl)thiophene

There total 1 articles about 2-(2-Chlorobenzyl)thiophene 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:

→ 2-(2-chloro-benzyl)-thiophene (91064-17-4)

Guidance literature:

Aus 2-Chlor-benzylchlorid und Thienyl-(2)-magnesiumbromid in Bzl. bei 60grad;

DOI:10.1021/jo01067a040

Reference yield:

2-(2-chloro-benzyl)-thiophene (91064-17-4) → (Z)-5'-(2-chlorobenzylidene)-1-ethyl-4,5,6-trimethoxy-5'H-spiro-[indoline-3,2'-thiophen]-2-one (1386262-33-4)

Guidance literature:

Multi-step reaction with 6 steps

1: trichlorophosphate / dichloromethane / Inert atmosphere

2: potassium permanganate / dichloromethane / Inert atmosphere

3: sulfuryl dichloride / Reflux; Inert atmosphere

4: triethylamine / dichloromethane / Inert atmosphere

5: sodium tetrahydroborate / methanol / Inert atmosphere

6: copper(ll) sulfate pentahydrate; toluene-4-sulfonic acid / toluene / 12 h / 90 °C / Inert atmosphere

With sodium tetrahydroborate; potassium permanganate; sulfuryl dichloride; copper(ll) sulfate pentahydrate; toluene-4-sulfonic acid; triethylamine; trichlorophosphate; In methanol; dichloromethane; toluene; 1: Vilsmeier-Haack reaction;

DOI:10.1021/jo301039y

Reference yield:

2-(2-chloro-benzyl)-thiophene (91064-17-4) → (Z)-5'-(2-chlorobenzylidene)-1-ethyl-5,6-dimethoxy-5'H-spiro-[indoline-3,2'-thiophen]-2-one (1386262-34-5)

Guidance literature:

Multi-step reaction with 6 steps

1: trichlorophosphate / dichloromethane / Inert atmosphere

2: potassium permanganate / dichloromethane / Inert atmosphere

3: sulfuryl dichloride / Reflux; Inert atmosphere

4: triethylamine / dichloromethane / Inert atmosphere

5: sodium tetrahydroborate / methanol / Inert atmosphere

6: copper(ll) sulfate pentahydrate; toluene-4-sulfonic acid / toluene / 12 h / 90 °C / Inert atmosphere

With sodium tetrahydroborate; potassium permanganate; sulfuryl dichloride; copper(ll) sulfate pentahydrate; toluene-4-sulfonic acid; triethylamine; trichlorophosphate; In methanol; dichloromethane; toluene; 1: Vilsmeier-Haack reaction;

DOI:10.1021/jo301039y

Downstream raw materials:

(Z)-5'-(2-chlorobenzylidene)-1-ethyl-4,5,6-trimethoxy-5'H-spiro-[indoline-3,2'-thiophen]-2-one

(Z)-5'-(2-chlorobenzylidene)-1-ethyl-5,6-dimethoxy-5'H-spiro-[indoline-3,2'-thiophen]-2-one

C₂₃H₂₄ClNO₅S

C₂₂H₂₂ClNO₄S