EM 139

Base Information

• Chemical Name: EM 139
• CAS No.: 131811-54-6
• Molecular Formula: C₃₄H₅₄ClNO₃
• Molecular Weight: 560.261
• Mol file: 131811-54-6.mol

Synonyms:EM139

Chemical Property of EM 139

Chemical Property:

• Vapor Pressure: 4.63E-20mmHg at 25°C
• Boiling Point: 691.2°Cat760mmHg
• Flash Point: 371.9°C
• PSA: 60.77000
• Density: 1.11g/cm³
• LogP: 8.21210

Purity/Quality:

EM 139 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of EM 139

There total 7 articles about EM 139 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: 55.0%

N-n-butyl-N-methyl-11-(16'α-chloro-3'-acetoxy-17'-oxoestra-1',3',5'(10')-trien-7'α-yl)undecanamide (131811-73-9) → EM-170 (131811-55-7) + EM-139 (131811-54-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at -70 - 0 ℃;

DOI:10.1021/jm00109a014

Reference yield:

N-n-butyl-N-methylamine (110-68-9) → EM-139 (131811-54-6)

Guidance literature:

Multi-step reaction with 5 steps

1: CH₂Cl₂ / 1 h / Ambient temperature

2: 97 percent / 2 N NaOH / methanol / 1 h / 0 °C

3: 80 percent / p-toluenesulfonic acid / 19 h / Heating

4: 89 percent / t-BuOCl, CH₃COONa / acetone; acetic acid; H₂O / 1 h / 55 °C

5: 55 percent / LiAlH₄ / tetrahydrofuran / -70 - 0 °C

With sodium hydroxide; lithium aluminium tetrahydride; tert-butylhypochlorite; sodium acetate; toluene-4-sulfonic acid; In tetrahydrofuran; methanol; dichloromethane; water; acetic acid; acetone;

DOI:10.1021/jm00109a014

Reference yield:

N-n-butyl-N-methyl-11-(3'-hydroxy-17'-oxoestra-1',3',5'(10')-trien-7'α-yl)undecanamide (98013-89-9) → EM-139 (131811-54-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 80 percent / p-toluenesulfonic acid / 19 h / Heating

2: 89 percent / t-BuOCl, CH₃COONa / acetone; acetic acid; H₂O / 1 h / 55 °C

3: 55 percent / LiAlH₄ / tetrahydrofuran / -70 - 0 °C

With lithium aluminium tetrahydride; tert-butylhypochlorite; sodium acetate; toluene-4-sulfonic acid; In tetrahydrofuran; water; acetic acid; acetone;

DOI:10.1021/jm00109a014

upstream raw materials:

N-n-butyl-N-methyl-11-(16'α-chloro-3'-acetoxy-17'-oxoestra-1',3',5'(10')-trien-7'α-yl)undecanamide

N-n-butyl-N-methylamine

N-n-butyl-N-methyl-11-(3'-hydroxy-17'-oxoestra-1',3',5'(10')-trien-7'α-yl)undecanamide

11-<3'-(benzoyloxy)-17'-oxoestra-1',3',5'(10')-trien-7'α-yl>undecanoic acid

Refernces