5-Furfurylidene-2-Thiobarbituric Acid

Base Information

• Chemical Name: 5-Furfurylidene-2-Thiobarbituric Acid
• CAS No.: 27430-18-8
• Molecular Formula: C₉H₆N₂O₃S
• Molecular Weight: 222.224
• Hs Code.: 2934999090
• European Community (EC) Number: 654-969-5
• NSC Number: 96626
• DSSTox Substance ID: DTXSID20350317
• Nikkaji Number: J570.763C
• Pharos Ligand ID: 1Q23218PBYXR
• ChEMBL ID: CHEMBL4537015
• Mol file: 27430-18-8.mol

Synonyms:27430-18-8;5-Furfurylidene-2-Thiobarbituric Acid;NSC-96626;5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione;5-FURFURYLIDENE-2-THIOBARBITURICACID;CHEMBL4537015;5-[(Furan-2-yl)methylidene]-4,6-dihydroxy-2,5-dihydropyrimidine-2-thione;5-[(furan-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione;NSC96626;SCHEMBL3181280;DTXSID20350317;HMS1607J07;CBA43018;5-(furan-2-ylmethylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione;BDBM50534267;CCG-53892;NSC 96626;STK970592;STL296169;AKOS000521283;AKOS001036274;AKOS030659818;SDCCGMLS-0065342.P001;CS-0238656;EN300-198955;AB00123094-02;AB00682070-01;SR-01000643022-1;F0777-0749;Z237732478;(5E)-5-(furan-2-ylmethylidene)-2-sulfanylpyrimidine-4,6(1H,5H)-dione;5-(furan-2-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione;5-[(Furan-2-yl)methylidene]-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione

Chemical Property of 5-Furfurylidene-2-Thiobarbituric Acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 103.43000
• Density: 1.54g/cm³
• LogP: 0.85150
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 222.00991323
• Heavy Atom Count: 15
• Complexity: 342

Purity/Quality:

99% ^*data from raw suppliers

5-FURFURYLIDENE-2-THIOBARBITURIC ACID ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC(=C1)C=C2C(=O)NC(=S)NC2=O

Technology Process of 5-Furfurylidene-2-Thiobarbituric Acid

There total 4 articles about 5-Furfurylidene-2-Thiobarbituric Acid 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: 95.0%

furfural (98-01-1) + 4,6-dihydroxy-2-mercaptopyrimidine (504-17-6,157796-99-1,924832-30-4) → 5-(furan-2'-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (27430-18-8)

Guidance literature:

In water; at 20 ℃; for 1h;

DOI:10.1055/s-0030-1258292

Reference yield: 77.0%

→ 5-(furan-2'-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (27430-18-8)

Guidance literature:

Reference yield:

furfural (98-01-1) + 4-thioxodihydro-2,6(1H,5H)-pyrimidinedione (15998-99-9) → 5-(furan-2'-ylmethylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (27430-18-8)

Guidance literature:

With hydrogenchloride; at 20 ℃;

upstream raw materials:

furfural

4-thioxodihydro-2,6(1H,5H)-pyrimidinedione

4,6-dihydroxy-2-mercaptopyrimidine

Refernces

• 1、 Sabahi-Agabager, Leila,Eskandari, Habibollah,Nasiri, Farough,Shamkhali, Amir Nasser,Baghi Sefidan, Somayyeh. "Properties of a furan ring-opening reaction in aqueous micellar solutions for selective sensing of mesalazine". . . Retrieved 2021/05/04.
• 2、 Jalilzadeh, Mohammad,Pesyan, Nader Noroozi. "New strategy for the synthesis of 5-Aryl-1H,1′H-spiro[furo[2,3-d] pyrimidine-6,5′-pyrimidine]2,2′,4,4′,6′(3H,3'H,5H) -pentaones and their sulfur analogues". experimental part. p. 3382 - 3388. Retrieved 2012/01/19.