Androstane-3,17-diyl bis[bis(2-chloroethyl)carbamate]

Base Information

• Chemical Name: Androstane-3,17-diyl bis[bis(2-chloroethyl)carbamate]
• CAS No.: 3133-50-4
• Molecular Formula: C₂₉H₄₆Cl₄N₂O₄
• Molecular Weight: 628.507
• NSC Number: 89200
• DSSTox Substance ID: DTXSID90953374
• Wikidata: Q82932219
• Mol file: 3133-50-4.mol

Synonyms:3133-50-4;NSC89200;DTXSID90953374;NSC-89200;Androstane-3,17-diyl bis[bis(2-chloroethyl)carbamate]

Chemical Property of Androstane-3,17-diyl bis[bis(2-chloroethyl)carbamate]

Chemical Property:

• Vapor Pressure: 3.81E-17mmHg at 25°C
• Boiling Point: 657.2°Cat760mmHg
• Flash Point: 351.2°C
• Density: 1.26g/cm³
• XLogP3: 7.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 628.218219
• Heavy Atom Count: 39
• Complexity: 840

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(CC1CCC3C2CCC4(C3CCC4OC(=O)N(CCCl)CCCl)C)OC(=O)N(CCCl)CCCl
• Isomeric SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OC(=O)N(CCCl)CCCl)C)OC(=O)N(CCCl)CCCl

Technology Process of Androstane-3,17-diyl bis[bis(2-chloroethyl)carbamate]

There total 2 articles about Androstane-3,17-diyl bis[bis(2-chloroethyl)carbamate] 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:

→ Bis-(2-chloro-ethyl)-carbamic acid (3R,5S)-3-[bis-(2-chloro-ethyl)-carbamoyloxy]-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl ester (3133-50-4,17007-86-2)

Guidance literature:

3α,17β-Bischlorformiat, Bis(β-chlorethyl)amin;

Reference yield:

→ Bis-(2-chloro-ethyl)-carbamic acid (3R,10S,13S,17S)-3-[bis-(2-chloro-ethyl)-carbamoyloxy]-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl ester (3133-50-4,17007-86-2)

Guidance literature:

entspr. Alkohol, Acylierung;

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