Unii-G4HA83wus4

Base Information

• Chemical Name: Unii-G4HA83wus4
• CAS No.: 24377-08-0
• Molecular Formula: C21H28O2
• Molecular Weight: 312.44582
• UNII: G4HA83WUS4
• Mol file: 24377-08-0.mol

Synonyms:24377-08-0;G4HA83WUS4;(8R,9S,10R,13R,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-one;UNII-G4HA83WUS4;Progesterone impurity A [EP];SCHEMBL9724575;PROGESTERONE IMPURITY A [EP IMPURITY];(8R, 9S, 10R, 13R, 17S)-17-acetyl-10, 13-dimethyl-1, 2, 6, 7, 8, 9, 11, 12, 16, 17-decahydrocyclopenta[a]phenanthren-3-one

Chemical Property of Unii-G4HA83wus4

Chemical Property:

• PSA: 34.14000
• LogP: 4.64360
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 312.208930132
• Heavy Atom Count: 23
• Complexity: 640

Purity/Quality:

98% ^*data from raw suppliers

Pregna-4,14-diene-3,20-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1CC=C2C1(CCC3C2CCC4=CC(=O)CCC34C)C
• Isomeric SMILES: CC(=O)[C@H]1CC=C2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
• Uses: Progesterone derivative

Technology Process of Unii-G4HA83wus4

There total 16 articles about Unii-G4HA83wus4 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: 80.0%

3β-hydroxy-5,14-pregnadien-20-one (22042-13-3) → Pregna-4,14-diene-3,20-dione (24377-08-0)

Guidance literature:

With aluminum isopropoxide; In cyclohexanone; toluene; for 1.5h; Heating;

Reference yield: 63.0%

14-hydroxy-4-pregnene-3,20-dione (16031-66-6) → Pregna-4,14-diene-3,20-dione (24377-08-0)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; at 50 - 60 ℃; for 0.333333h;

DOI:10.1021/jm00391a038

Reference yield:

15α-hydroxyprogesterone (600-73-7) → Pregna-4,14-diene-3,20-dione (24377-08-0)

Guidance literature:

With toluene-4-sulfonic acid; In benzene;

upstream raw materials:

15α-(toluene-4-sulfonyloxy)-pregn-4-ene-3,20-dione

pregna-5,14-diene-3β,20β_F-diol

14-hydroxy-4-pregnene-3,20-dione

15α-hydroxyprogesterone

Refernces

• 1、 Heusser et al.. "-". . p. 1178,1184. Retrieved 1955.