2-(2-Thienyl)ethyl benzenesulphonate

Base Information

• Chemical Name: 2-(2-Thienyl)ethyl benzenesulphonate
• CAS No.: 85567-51-7
• Molecular Formula: C₁₂H₁₂O₃S₂
• Molecular Weight: 268.357
• European Community (EC) Number: 287-765-6
• DSSTox Substance ID: DTXSID90234776
• Nikkaji Number: J310.711F
• Wikidata: Q83116611
• Mol file: 85567-51-7.mol

Synonyms:85567-51-7;2-(2-Thienyl)ethyl benzenesulphonate;EINECS 287-765-6;2-(Thiophen-2-yl)ethyl benzenesulfonate;2-(2-THIENYL)ETHYL BENZENESULFONATE;SCHEMBL3982583;DTXSID90234776;2-Thiopheneethanol benzenesulfonate;C12H12O3S2;2-(2-thienyl)ethylbenzenesulfonate;MFCD23142923;C12-H12-O3-S2;SY286457;CS-0459079;E85752;W-111661

Chemical Property of 2-(2-Thienyl)ethyl benzenesulphonate

Chemical Property:

• Vapor Pressure: 9.16E-07mmHg at 25°C
• Boiling Point: 416.5°Cat760mmHg
• Flash Point: 205.7°C
• PSA: 79.99000
• Density: 1.313g/cm³
• LogP: 3.77690
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 268.02278659
• Heavy Atom Count: 17
• Complexity: 315

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=CS2

Technology Process of 2-(2-Thienyl)ethyl benzenesulphonate

There total 1 articles about 2-(2-Thienyl)ethyl benzenesulphonate 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:

oxirane (75-21-8,99932-75-9) + thiophene (188290-36-0,8014-23-1,25233-34-5) + benzenesulfonyl chloride (98-09-9) → 2-(thiophene-2-yl)ethyl benzenesulfonate (85567-51-7)

Guidance literature:

thiophene; With sodium; In 5,5-dimethyl-1,3-cyclohexadiene; at 35 - 40 ℃; for 5h;

oxirane; In 5,5-dimethyl-1,3-cyclohexadiene; at 0 - 10 ℃; for 1h;

benzenesulfonyl chloride; In 5,5-dimethyl-1,3-cyclohexadiene; at 15 ℃; for 1h; Temperature; Solvent;

Reference yield:

2-(thiophene-2-yl)ethyl benzenesulfonate (85567-51-7) → 2-benzoyl-2,3,6,7-tetrahydro-1H-thieno[3',2':3,4]pyrido[1,2-a]pyrazin-4(10bH)-one (89508-21-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) CH₃ONa / 1.) dimethylformamid, room temp., 2 h, 2.) dimethylformamid, reflux, 2 h

2: 1.) CuCl₂*2H₂O, 2.) NaBH₄ / 1.) ethanol, 0 deg C, 1 h , 2.) 0 deg C, 0.5 h

3: 81 percent / HCL aq / 0 °C

With hydrogenchloride; sodium tetrahydroborate; sodium methylate;

Reference yield:

2-(thiophene-2-yl)ethyl benzenesulfonate (85567-51-7) → 4-Benzoyl-6-hydroxy-1-(2-thiophen-2-yl-ethyl)-piperazin-2-one (89508-17-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) CH₃ONa / 1.) dimethylformamid, room temp., 2 h, 2.) dimethylformamid, reflux, 2 h

2: 1.) CuCl₂*2H₂O, 2.) NaBH₄ / 1.) ethanol, 0 deg C, 1 h , 2.) 0 deg C, 0.5 h

With sodium tetrahydroborate; sodium methylate;

upstream raw materials:

oxirane

thiophene

benzenesulfonyl chloride

Downstream raw materials:

4-Benzoyl-1-(2-thiophen-2-yl-ethyl)-piperazine-2,6-dione

2-benzoyl-2,3,6,7-tetrahydro-1H-thieno[3',2':3,4]pyrido[1,2-a]pyrazin-4(10bH)-one

4-Benzoyl-6-hydroxy-1-(2-thiophen-2-yl-ethyl)-piperazin-2-one

4-cyclohexylcarbonyl-6-hydroxy-1-<2-(2-thienyl)ethyl>piperazin-2-one