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

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

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

Downstream Products

• 521-17-5 5-androstenediol 
• 734-32-7 estra-4-ene-3,17-dione 
• 510-64-5 19-hydroxy-4-androstene-3,17-dione 
• 53-43-0 dehydroepiandrosterone 
• 2099-26-5 androstenediol-3,17-diacetate 
• 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.

Method for preparing epiandrosterone by taking androstenedione as raw material

The invention relates to a method for preparing epiandrosterone by taking androstenedione as a raw material, and a target product epiandrosterone is obtained through the four-step reactions of a 3-carbonyl alkene esterification reaction, a 17-carbonyl ketal protective reaction, a hydrolysis and palladium carbon catalytic reduction reaction and an acid hydrolysis reaction of androstenedione. Compared with the existing synthesis method, the source of the raw material of the method is rich, the price is low, the synthesis condition is mild, the reduction effect of a catalyst is good, the yield ishigh, the production cost is relatively low, and the method is suitable for industrial production.

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.

5 α-chloro-androl -6β, 19-epoxy -3,17-dione method for the preparation of

The invention provides a method for preparing 5 alpha-chlorine-androstane-6 beta, 19-epoxy-3,17-diketone. The method comprises the following steps: taking 4-AD as a raw material, carrying out 3-position enol esterification, reduction, 3,17-position double esterification, 5,6-position addition, 6,19-cyclization and 3,17-position double oxidation, and finally obtaining 5 alpha-chlorine-androstane-6 beta, 19-epoxy-3,17-diketone. The method has the advantages of being rich in raw material sources, environmentally-friendly, low in cost and high in yield of synthetic process, and the obtained 5 alpha-chlorine-androstane-6 beta, 19-epoxy-3,17-diketone can be applied to producing series of family planning drugs.

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).

Microwave induced selective enolization of steroidal ketones and efficient acetylation of sterols in semisolid state

Under microwave irradiation steroidal enones, more specifically, position three carbonyls were efficiently and selectively converted to the corresponding enol acetates in the presence of additional enolizable carbonyl functions at other positions, using acetic anhydride and a catalytic amount of toluene-p-sulfonic acid. Acetylation of hydroxyl groups of the sterols, including those at the hindered positions, was near quantitative. Strictly anhydrous conditions were not a pre-requisite for acetylation and the reaction system easily tolerated up to 10% (v/v) moisture.

Method and product for increasing fertility in sheep using milk protein conjugates

A product and method for increasing fertility in sheep. By "increasing felity" is meant increasing the potential of a flock of sheep to multiply by increasing ovulation in ewes. The product is an immunogenic conjugate of 4-androstene-3, 17-dione and a soluble milk protein (SMP): 6-hydroxyandrost-4-ene-3, 17-dione 6-hemisuccinyl: SMP. The method comprises immunizing the ewes in a flock of sheep against 4-androstene-3, 17-dione by administering 6-hydroxyandrost-4-ene-3, 17-dione 6-hemisuccinyl SMP at the rate of 3 to 5 mg per ewe. In previously untreated ewes, two administrations are required at between 8 to 9 and 4 to 5 weeks before the planned commencement of mating. Subsequent administrations are annually and are recommended at 5 weeks before the commencement of mating.