21-Fluoroprogesterone

Base Information

• Chemical Name: 21-Fluoroprogesterone
• CAS No.: 434-18-4
• Molecular Formula: C21H29FO2
• Molecular Weight: 332.4522
• NSC Number: 19608
• UNII: DX31XG2JO0
• DSSTox Substance ID: DTXSID00963005
• Nikkaji Number: J66.982B
• Wikidata: Q27115981
• Mol file: 434-18-4.mol

Synonyms:21-Fluoroprogesterone;21-Fluoropregn-4-ene-3,20-dione;Progesterone, 21-fluoro-;Pregn-4-ene-3,20-dione, 21-fluoro-;NSC 19608;434-18-4;UNII-DX31XG2JO0;DX31XG2JO0;C14488;NSC-19608;Pregn-4-ene-3, 21-fluoro-;SCHEMBL11112761;C21H29FO2;CHEBI:34309;DTXSID00963005;Progesterone, 21-fluoro- (6CI);NSC19608;J66.982B;LS-118676;Q27115981;(8S,9S,10R,13S,14S,17S)-17-(2-FLUOROACETYL)-10,13-DIMETHYL-1,2,6,7,8,9,11,12,14,15,16,17-DODECAHYDROCYCLOPENTA(A)PHENANTHREN-3-ONE

Chemical Property of 21-Fluoroprogesterone

Chemical Property:

• Vapor Pressure: 1.15E-08mmHg at 25°C
• Boiling Point: 460.6°Cat760mmHg
• Flash Point: 173.6°C
• Density: 1.13g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 332.21515833
• Heavy Atom Count: 24
• Complexity: 609

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2C(=O)CF)CCC4=CC(=O)CCC34C
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CF)CCC4=CC(=O)CC[C@]34C

Technology Process of 21-Fluoroprogesterone

There total 11 articles about 21-Fluoroprogesterone 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: 85.0%

21-fluoropregn-5-ene-3,20-dione → 21-fluoropregn-4-ene-3,20-dione (434-18-4)

Guidance literature:

With oxalic acid; In methanol; at 80 ℃; for 2h;

DOI:10.1039/d1ob01178b

Reference yield: 35.0%

21-<(methylsulfonyl)oxy>pregn-4-ene-3,20-dione (20576-45-8) → 21-fluoropregn-4-ene-3,20-dione (434-18-4)

Guidance literature:

With potassium fluoride; 18-crown-6 ether; In N,N-dimethyl-formamide; for 21h; Heating;

DOI:10.1139/v82-027

Reference yield:

11-deoxy-21-iodocorticosterone (20576-46-9) → 21-fluoropregn-4-ene-3,20-dione (434-18-4)

Guidance literature:

With silver fluoride;

DOI:10.1021/ja01592a104

upstream raw materials:

11-deoxy-21-iodocorticosterone

21-<(methylsulfonyl)oxy>pregn-4-ene-3,20-dione

21-Hydroxyprogesterone

21-fluoro-3β-hydroxypregn-5-en-20-one

Refernces

• 1、 Holland,Thomas. "Microbial hydroxylation of steroids. VIII. Incubation of Cn halo- and other substituted steroids with Cn hydroxylating fungi". . p. 160 - 164. Retrieved 2007/10/02.