7alpha-Carboxyethyl-thioether-progesterone

Base Information

• Chemical Name: 7alpha-Carboxyethyl-thioether-progesterone
• CAS No.: 40845-01-0
• Molecular Formula: C₂₄H₃₄O₄S
• Molecular Weight: 418.598
• DSSTox Substance ID: DTXSID80961261
• Mol file: 40845-01-0.mol

Synonyms:7-(carboxyethylthio)progesterone;7alpha-carboxyethyl-thioether-progesterone

Chemical Property of 7alpha-Carboxyethyl-thioether-progesterone

Chemical Property:

• Vapor Pressure: 6.58E-16mmHg at 25°C
• Boiling Point: 599.3°Cat760mmHg
• Flash Point: 316.2°C
• PSA: 96.74000
• Density: 1.2g/cm³
• LogP: 4.90990
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 418.21778074
• Heavy Atom Count: 29
• Complexity: 758

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1CCC2C1(CCC3C2C(CC4=CC(=O)CCC34C)SCCC(=O)O)C
• Isomeric SMILES: CC(=O)[C@H]1CCC2[C@@]1(CCC3C2[C@@H](CC4=CC(=O)CC[C@]34C)SCCC(=O)O)C

Technology Process of 7alpha-Carboxyethyl-thioether-progesterone

There total 2 articles about 7alpha-Carboxyethyl-thioether-progesterone 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:

6-Bromoprogesterone (64395-41-1) → 3-(pregn-4-ene-3,20-dione-7α-yl)thiopropanoic acid (40845-01-0)

Guidance literature:

Multi-step reaction with 2 steps

1: collidine

2: NaOMe / dioxane

With 2,3,5-trimethyl-pyridine; sodium methylate; In 1,4-dioxane;

DOI:10.1016/0039-128X(72)90058-X

Reference yield:

6-dehydroprogesterone (1162-56-7) + 3-mercaptopropionic acid (107-96-0) → 3-(pregn-4-ene-3,20-dione-7α-yl)thiopropanoic acid (40845-01-0)

Guidance literature:

With sodium methylate; In 1,4-dioxane;

DOI:10.1016/0039-128X(72)90058-X

upstream raw materials:

6-dehydroprogesterone

3-mercaptopropionic acid

6-Bromoprogesterone