12,15-bisthia-1,3,5(10),6,8,13(14)-gonahexaen-17-one

Base Information

• Chemical Name: 12,15-bisthia-1,3,5(10),6,8,13(14)-gonahexaen-17-one
• CAS No.: 78793-11-0
• Molecular Formula: C₁₅H₁₀OS₂
• Molecular Weight: 270.376
• Mol file: 78793-11-0.mol

Synonyms:12,15-bisthia-1,3,5(10),6,8,13(14)-gonahexaen-17-one

Chemical Property of 12,15-bisthia-1,3,5(10),6,8,13(14)-gonahexaen-17-one

Chemical Property:

• Vapor Pressure: 2.36E-11mmHg at 25°C
• Boiling Point: 530.9°C at 760 mmHg
• Flash Point: 246.2°C
• PSA: 67.67000
• Density: 1.45g/cm³
• LogP: 4.07110

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 12,15-bisthia-1,3,5(10),6,8,13(14)-gonahexaen-17-one

There total 4 articles about 12,15-bisthia-1,3,5(10),6,8,13(14)-gonahexaen-17-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: 15.0%

(3-thia-3,4-dihydrophenanthren-1-yl)-thioacetic acid (78806-32-3) → 12,15-bisthia-1,3,5(10),6,8,13(14)-gonahexaen-17-one (78793-11-0)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; for 3h; Heating;

DOI:10.1016/0039-128X(81)90038-6

Reference yield:

1-oxo-3-thia-1,2,3,4-tetrahydrophenanthrene (5254-94-4) → 12,15-bisthia-1,3,5(10),6,8,13(14)-gonahexaen-17-one (78793-11-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 50 percent / p-toluenesulphonic acid / benzene / 16 h / Heating

2: 15 percent / p-toluenesulphonic acid / benzene / 3 h / Heating

With toluene-4-sulfonic acid; In benzene;

DOI:10.1016/0039-128X(81)90038-6

Reference yield:

α-Naphthylmethylenthioessigsaeure (5254-92-2) → 12,15-bisthia-1,3,5(10),6,8,13(14)-gonahexaen-17-one (78793-11-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 30 percent / P₂O₅ / benzene / 5 h / Heating

2: 50 percent / p-toluenesulphonic acid / benzene / 16 h / Heating

3: 15 percent / p-toluenesulphonic acid / benzene / 3 h / Heating

With phosphorus pentoxide; toluene-4-sulfonic acid; In benzene;

DOI:10.1016/0039-128X(81)90038-6

upstream raw materials:

(3-thia-3,4-dihydrophenanthren-1-yl)-thioacetic acid

1-oxo-3-thia-1,2,3,4-tetrahydrophenanthrene

α-Naphthylmethylenthioessigsaeure

1-Chloromethylnaphthalene

Refernces

Heterocyclic steroids - part X: Total synthesis of 12,15-bisthia-1,3,5(10),6,8,13(14)-gonahexaen-17-one

10.1016/0039-128X(81)90038-6

The research focuses on the total synthesis of 12,15-bisthia-1,3,5(10),6,8,13(14)-gonahexaen-17-one (III), a heterocyclic steroid compound. The study aims to explore the influence of sulfur at position '12' of the steroid nucleus on biological activity, building on previous work on 3-deoxy-12-thiaequilenin and 12-thiaequilenin methyl ether. The synthesis involves a series of chemical reactions starting with 1-chloromethylnaphthalene (IV), which is treated with thioglycollic acid in sodium hydroxide to form l-naphthylmethyl-thioacetic acid (V). This compound is then cyclodehydrated with phosphorus pentoxide to yield 1-oxo-3-thia-1,2,3,4-tetrahydrophenanthrene (VI). Further reactions with thioglycollic acid and p-toluenesulfonic acid (PTS) lead to the formation of (3-thia-3,4-dihydrophenanthren-1-yl)thioacetic acid (VII), which is cyclodehydrated again to obtain the target compound (III).

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