4968-05-2

Basic information

• Product Name: N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-heptylbenzamide
• CAS NO: 4968-05-2
• Molecular Formula: C₂₁H₂₈O₃
• Molecular Weight: 413.9635
• Mol File: 4968-05-2.mol
• Article Data: 8

Chemical Properties

• Density: 1.229g/cm³
• Refractive Index: 1.615
• CAS DataBase Reference: N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-heptylbenzamide(CAS DataBase Reference)
• NIST Chemistry Reference: N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-heptylbenzamide(4968-05-2)
• EPA Substance Registry System: N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-heptylbenzamide(4968-05-2)

Safety Data

• Hazardous Substances Data: 4968-05-2(Hazardous Substances Data)

Upstream product

• 108-22-5 Isopropenyl acetate 
• 63-05-8 Androstenedione 
• 108-24-7 acetic anhydride 

Downstream Products

• 53-43-0 dehydroepiandrosterone 
• 510-64-5 19-hydroxy-4-androstene-3,17-dione 
• 734-32-7 estra-4-ene-3,17-dione 
• 2099-26-5 androstenediol-3,17-diacetate 
• 521-17-5 5-androstenediol 
• 7153-19-7 3-Methoxy-androstadien-(3,5)-dion-(7,17) 

Relevant articles and documents

Preparation method of dehydroepiandrosterone

The invention relates to the technical field of preparation of steroid hormone medicines, and concretely relates to a preparation method of dehydroepiandrosterone. The method comprises the steps of adopting 4-AD as an initiator, and sequentially carrying out acetylation, ketal reduction reaction 'one-pot method' and hydrolysis reaction for preparing the dehydroepiandrosterone, wherein in acetylation, a combination of aluminium trichloride and sulfosalicylic acid or a combination of aluminium trichloride and camphorsulfonic acid is adopted as a catalyst. Compared with the prior art, in the dehydroepiandrosterone product obtained by the invention, the isomers only account for 1 to 3 percent, the mass yield is larger than 88 percent, the refining yield is larger than 78 percent, the product purity is larger than 99 percent, and an industrial application prospect is wide.

Preparation method of 19-demethylation-4-androstenedione

The invention discloses a preparation method of 19-demethylation-4-androstenedione and belongs to the technical field of medical intermediate processing. The preparation method comprises the following steps: (1) carrying out esterification reaction; (2) carrying out ketalation; (3) carrying out reduction reaction; (4) carrying out hydrolysis reaction; (5) carrying out esterification reaction; (6) carrying out addition reaction; (7) carrying out cyclization and hydrolysis reaction; (8) carrying out oxidation, dechloridation and ring-opening reaction; and (9) carrying out oxidation and decarboxylation reaction. The preparation method disclosed by the invention has the advantages that environmental pollution is small, usage amounts of a solvent and water are smaller, temperature sensitivity is low, control is easy, and yield is high; a chlorinating agent is adopted, so that reaction yield is increased; 1,3-dichloro-5,5-dimethylhydantoin is adopted, so that the reaction yield is further increased; and sodium hydrogen carbonate is adopted, so that final decarboxylic reaction yield is increased, and external standards and appearance of a product can be improved.

Development of a Chemoenzymatic Process for Dehydroepiandrosterone Acetate Synthesis

Dehydroepiandrosterone (DHEA, 2) is an important endogenous steroid hormone in mammals used in the treatment of a variety of dysfunctions in female and male health,1 as well as an intermediate in the synthesis of steroidal drugs, such as abiraterone acetate which is used for the treatment of prostate cancer.2-4 In this manuscript we describe a novel, concise, and cost-efficient route toward DHEA (2) and DHEA acetate (3) from 4-androstene-3,17-dione (4-AD, 1). Crucial to success was the identification of a ketoreductase from Sphingomonas wittichii for the highly regio- and stereoselective reduction of the C3-carbonyl group of 5-androstene-3,17-dione (5) to the required 3β-alcohol (2, >99% de). The enzyme displayed excellent robustness and solvent stability under high substrate concentrations (up to 150 g/L).