Pentolame

Base Information

• Chemical Name: Pentolame
• CAS No.: 150748-24-6
• Molecular Formula: C₂₃H₃₅NO₂
• Molecular Weight: 357.536
• DSSTox Substance ID: DTXSID801188752
• Nikkaji Number: J989.697J
• Wikipedia: Pentolame
• Mol file: 150748-24-6.mol

Synonyms:17 beta-(5'-hydroxy-1'-pentylamino)-1,3,5(10)-estratrien-3-ol;pentolame

Chemical Property of Pentolame

Chemical Property:

• Boiling Point: 532.9±50.0 °C(Predicted)
• PKA: 10.26±0.40(Predicted)
• PSA: 0.00000
• Density: 1.13±0.1 g/cm3(Predicted)
• LogP: 0.00000
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 357.266779359
• Heavy Atom Count: 26
• Complexity: 469

Purity/Quality:

PENTOLAME 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2NCCCCCO)CCC4=C3C=CC(=C4)O
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2NCCCCCO)CCC4=C3C=CC(=C4)O

Technology Process of Pentolame

There total 3 articles about Pentolame 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: 96.0%

17β-(5-hydroxy-1-pentylamino)-1,3,5(10),17(20)-estratetraen-3-ol → Pentolame (150748-24-6)

Guidance literature:

With sodium tetrahydroborate; In ethanol; for 0.5h; Heating;

DOI:10.1016/0039-128X(93)90002-5

Reference yield:

5-hydroxypentylamine (2508-29-4) → Pentolame (150748-24-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / 4 h / 80 - 85 °C

2: 96 percent / NaBH₄ / ethanol / 0.5 h / Heating

With sodium tetrahydroborate; In ethanol;

DOI:10.1016/0039-128X(93)90002-5

Reference yield:

Estrone (53-16-7) → Pentolame (150748-24-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / 4 h / 80 - 85 °C

2: 96 percent / NaBH₄ / ethanol / 0.5 h / Heating

With sodium tetrahydroborate; In ethanol;

DOI:10.1016/0039-128X(93)90002-5

upstream raw materials:

5-hydroxypentylamine

Estrone