2-(2-Thienylidene)-1-tetralone

Base Information

• Chemical Name: 2-(2-Thienylidene)-1-tetralone
• CAS No.: 54752-27-1
• Molecular Formula: C₁₅H₁₂OS
• Molecular Weight: 240.326
• NSC Number: 370462
• Nikkaji Number: J1.247.752J,J2.349.357H
• ChEMBL ID: CHEMBL1543847
• Mol file: 54752-27-1.mol

Synonyms:2-(2-thienylidene)-1-tetralone;MLS000519845;54752-27-1;SMR000130263;(2E)-2-(thiophen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one;MLS003171267;NSC370462;CHEMBL1543847;BDBM49442;cid_1810453;HMS562N09;YQJIGFWRZFDEDU-ZRDIBKRKSA-N;HMS2378I11;AKOS000954067;CCG-245144;NSC-370462;(2E)-2-(2-thenylidene)tetralin-1-one;2-[(alphaE)-2-Thenylidene]tetralin-1-one;(2E)-2-(2-thienylmethylene)tetralin-1-one;(2e)2(2thienylmethylene)3,4dihydronaphthalen1(2h)one;(2E)-2-(2-thienylmethylene)-3,4-dihydronaphthalen-1(2H)-one;(2E)-2-(thiophen-2-ylmethylidene)-1,2,3,4-tetrahydronaphthalen-1-one

Chemical Property of 2-(2-Thienylidene)-1-tetralone

Chemical Property:

• Vapor Pressure: 7.31E-07mmHg at 25°C
• Boiling Point: 407.9°C at 760 mmHg
• Flash Point: 200.5°C
• PSA: 45.31000
• Density: 1.264g/cm³
• LogP: 3.96060
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 240.06088618
• Heavy Atom Count: 17
• Complexity: 334

Purity/Quality:

98%min ^*data from raw suppliers

(E)-3,4-DIHYDRO-2-((THIOPHEN-2-YL)METHYLENE)NAPHTHALEN-1(2H)-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: S22:Do not inhale dust.; S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=CC2=CC=CS2)C(=O)C3=CC=CC=C31
• Isomeric SMILES: C1C/C(=C\C2=CC=CS2)/C(=O)C3=CC=CC=C31

Technology Process of 2-(2-Thienylidene)-1-tetralone

There total 1 articles about 2-(2-Thienylidene)-1-tetralone 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%

thiophene-2-carbaldehyde (98-03-3) + 3,4-dihydronaphthalene-1(2H)-one (529-34-0) → 2-(Furan-2′′-yl)methylene-3,4-dihydro-2H-naphthalen-1-one (54752-27-1,106368-03-0)

Guidance literature:

With sodium hydroxide; In ethanol; water; at 20 ℃; for 12h;

DOI:10.1002/anie.201710271

Reference yield: 76.0%

2-(Furan-2′′-yl)methylene-3,4-dihydro-2H-naphthalen-1-one (54752-27-1,106368-03-0) + toluene-4-sulfonamide (70-55-3) → 4-methyl-N-((1Z,2E)-2-(thiophen-2-ylmethylene)-3,4-dihydronaphthalen-1(2H)-ylidene)benzenesulfonamide

Guidance literature:

With titanium tetrachloride; triethylamine; In toluene; at 0 ℃; Reflux;

DOI:10.1039/d1ob00218j

Reference yield: 75.0%

2-(Furan-2′′-yl)methylene-3,4-dihydro-2H-naphthalen-1-one (54752-27-1,106368-03-0) + thiosemicarbazide (79-19-6) + α-bromoacetophenone (70-11-1) → C24H19N3S2

Guidance literature:

With hydrogenchloride; In ethanol; for 8h; regioselective reaction; Reflux;

DOI:10.1016/j.bmcl.2012.11.024

upstream raw materials:

thiophene-2-carbaldehyde

3,4-dihydronaphthalene-1(2H)-one

Downstream raw materials:

4-Thiophen-2-yl-2-thioxo-2,3,5,6-tetrahydro-benzo[f]isoquinoline-1-carbonitrile

C₂₃H₁₇NS

Refernces

• 1、 Praveen Kumar,Renjitha,Fathimath Salfeena,Ashitha,S. Keri, Rangappa,Varughese, Sunil,Balappa Somappa, Sasidhar. "Antibacterial and antitubercular evaluation of dihydronaphthalenone-indole hybrid analogs". . p. 703 - 708. Retrieved 2017/09/30.
• 2、 Palaniraja, Jeyakannu,Roopan, Selvaraj Mohana. "UV-light induced domino type reactions: Synthesis and photophysical properties of unreported nitrogen ring junction quinazolines". . p. 37415 - 37423. Retrieved 2015/05/20.