3-Hydroxy-4-methylthiophen-2(5H)-one

Base Information

• Chemical Name: 3-Hydroxy-4-methylthiophen-2(5H)-one
• CAS No.: 34876-35-2
• Molecular Formula: C5H6O2S
• Molecular Weight: 130.16500
• Hs Code.: 2934990002
• UNII: 82S555S2NY
• ChEMBL ID: CHEMBL3247678
• DSSTox Substance ID: DTXSID20188430
• Nikkaji Number: J582.931C
• Wikidata: Q27269355
• Mol file: 34876-35-2.mol

Synonyms:34876-35-2;3-Hydroxy-4-methylthiophen-2(5H)-one;3-hydroxy-4-methyl-2(5H)-thiophenone;2(5H)-Thiophenone, 3-hydroxy-4-methyl-;4-hydroxy-3-methyl-2H-thiophen-5-one;82S555S2NY;Cefadroxil impurity G [EP];UNII-82S555S2NY;Cefadroxil monohydrate impurity G [EP];3-hydroxy-4-methyl-5H-thiophen-2-one;CHEMBL3247678;SCHEMBL21648159;DTXSID20188430;Crotonic acid, 2-hydroxy-4-mercapto-3-methyl-, gamma-(thio lactone);3-HYDROXY-4-METHYLTHIOPHENONE;AKOS030255306;PD165874;CEFRADINE IMPURITY F [EP IMPURITY];CEFADROXIL IMPURITY G [EP IMPURITY];3-hydroxy-4-methyl-2,5-dihydrothiophen-2-one;A899627;CEFADROXIL MONOHYDRATE IMPURITY G [EP IMPURITY];Q27269355;CROTONIC ACID, 2-HYDROXY-4-MERCAPTO-3-METHYL-, .GAMMA.-(THIO LACTONE)

Chemical Property of 3-Hydroxy-4-methylthiophen-2(5H)-one

Chemical Property:

• Melting Point: 32-34 °C(Solv: dichloromethane (75-09-2); hexane (110-54-3))
• Boiling Point: 305.9±42.0 °C(Predicted)
• PKA: 8.96±0.20(Predicted)
• PSA: 62.60000
• Density: 1.431±0.06 g/cm3(Predicted)
• LogP: 1.09180
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 130.00885060
• Heavy Atom Count: 8
• Complexity: 160

Purity/Quality:

99%, ^*data from raw suppliers

3-Hydroxy-4-methyl-2(5H)-thiophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)SC1)O
• Uses: 3-Hydroxy-4-methyl-2(5H)-thiophenone is an acid degradation product of Cephalexin (C256800) and Cefaclor (C235250), antibiotics. 3-Hydroxy-4-methyl-2(5H)-thiophenone (Cefalexin EP Impurity D) is an acid degradation product of Cephalexin (C256800) and Cefaclor (C235250), antibiotics.

Technology Process of 3-Hydroxy-4-methylthiophen-2(5H)-one

There total 8 articles about 3-Hydroxy-4-methylthiophen-2(5H)-one 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: 45.0%

cefalexin (15686-71-2,27726-35-8,34632-04-7,79814-91-8,108260-04-4) → 3-hydroxy-4-methyl-2(5H)-thiophenone (34876-35-2)

Guidance literature:

With hydrogenchloride; In water; at 75 ℃;

DOI:10.1002/ardp.19943270405

Reference yield: 2.0%

3-Methylthiophene (616-44-4,84928-92-7) → 3-hydroxy-4-methyl-2(5H)-thiophenone (34876-35-2)

Guidance literature:

With Pseudomonas putida UV₄ mutant strain; for 7h;

DOI:10.1039/b300867n

Reference yield:

(6R)-3-methyl-8-oxo-7t-(trimethylsilanyl-amino)-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid trimethylsilanyl ester (31461-05-9) → 3-hydroxy-4-methyl-2(5H)-thiophenone (34876-35-2)

Guidance literature:

Multi-step reaction with 2 steps

2: 45 percent / 6N HCl / H₂O / 75 °C

With hydrogenchloride; In water;

DOI:10.1002/ardp.19943270405

upstream raw materials:

cefalexin

cefadroxil

3-Methylthiophene

(6R)-3-methyl-8-oxo-7t-(trimethylsilanyl-amino)-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid trimethylsilanyl ester

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 34876-35-2 3-Hydroxy-4-Methyl-2(5H)-thiophenone

Send

Send

Metric Ton KG G Pound L ML

Send

Send