17-beta-Phenylaminocarbonyloxyoestra-1,3,5(10)-triene-3-methyl ether

Base Information

• Chemical Name: 17-beta-Phenylaminocarbonyloxyoestra-1,3,5(10)-triene-3-methyl ether
• CAS No.: 43085-16-1
• Molecular Formula: C26H31NO3
• Molecular Weight: 405.58
• DSSTox Substance ID: DTXSID50962886
• Mol file: 43085-16-1.mol

Synonyms:Sts 153;BRN 2309320;17-beta-Phenylaminocarbonyloxyoestra-1,3,5(10)-triene-3-methyl ether;C26-H31-N-O3;Estra-1,3,5(10)-trien-17-ol, 3-methoxy-, phenylcarbamate, (17.beta.)-;DTXSID50962886;ESTRA-1,3,5(10)-TRIEN-17-OL, 3-METHOXY-, PHENYLCARBAMATE, (17-beta)-;LS-64804;3-Methoxyestra-1(10),2,4-trien-17-yl hydrogen phenylcarbonimidate

Chemical Property of 17-beta-Phenylaminocarbonyloxyoestra-1,3,5(10)-triene-3-methyl ether

Chemical Property:

• Vapor Pressure: 7.57E-11mmHg at 25°C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 518.3°C at 760 mmHg
• Flash Point: 267.3°C
• PSA: 51.05000
• Density: 1.19g/cm³
• LogP: 6.18220
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 405.23039385
• Heavy Atom Count: 30
• Complexity: 617

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2OC(=O)NC4=CC=CC=C4)CCC5=C3C=CC(=C5)OC
• Isomeric SMILES: CC12CCC3C(C1CC[C@@H]2OC(=O)NC4=CC=CC=C4)CCC5=C3C=CC(=C5)OC

Technology Process of 17-beta-Phenylaminocarbonyloxyoestra-1,3,5(10)-triene-3-methyl ether

There total 1 articles about 17-beta-Phenylaminocarbonyloxyoestra-1,3,5(10)-triene-3-methyl ether 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:

→ Phenyl-carbamic acid 3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl ester (43085-16-1)

Guidance literature:

Chlorocarbonat (I), Anilin;