[(3E)-3-hydroxyimino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate

Base Information

• Chemical Name: [(3E)-3-hydroxyimino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
• CAS No.: 59285-18-6
• Molecular Formula: C21H31NO3
• Molecular Weight: 345.482
• NSC Number: 137001
• DSSTox Substance ID: DTXSID50421726

Synonyms:NSC137001;59285-18-6;DTXSID50421726;AKOS024332098;NSC-137001

Chemical Property of [(3E)-3-hydroxyimino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate

Chemical Property:

• Vapor Pressure: 5.92E-11mmHg at 25°C
• Boiling Point: 473.5°C at 760 mmHg
• Flash Point: 240.2°C
• Density: 1.27g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 345.23039385
• Heavy Atom Count: 25
• Complexity: 639

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=NO)CCC34C)C
• Isomeric SMILES: CC(=O)OC1CCC2C1(CCC3C2CCC4=C/C(=N/O)/CCC34C)C

Technology Process of [(3E)-3-hydroxyimino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate

There total 5 articles about [(3E)-3-hydroxyimino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate 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: 74.0%

testosterone acetate (1045-69-8) → 17β-acetoxy-3-hydroximinoandrost-4-ene (59285-18-6)

Guidance literature:

With pyridine; hydroxylamine hydrochloride; for 6h; Reflux;

Reference yield:

→ Acetic acid 3-[(Z)-hydroxyimino]-10,13-dimethyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl ester (21069-99-8,21238-86-8,59285-18-6)

Guidance literature:

/BRN= 62550/, Hydroxylaminhydrochlorid;

Reference yield:

→ Acetic acid 3-[(E)-hydroxyimino]-10,13-dimethyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl ester (21069-99-8,21238-86-8,59285-18-6)

Guidance literature:

/BRN= 62550/, Hydroxylaminhydrochlorid;

upstream raw materials:

testosterone acetate

Downstream raw materials:

3-aza-17β-acetoxy-A-homo-4α-androsten-4-one

8-hydroxy-5a,7a-dimethyl-3,4,5,5a,5b,6,7,7a,8,9,10,10a,11,12-tetradecahydrocyclopenta-[5,6]naphtho[1,2-d]azepin-2(10bH)-one

3,17α-diaza-A,D-bishomoandrost-4α-ene-4,17-dione

3-aza-A-homo-4α-androsten-4,17-dione oxime

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