Monohydroxymelphalan

Base Information

• Chemical Name: Monohydroxymelphalan
• CAS No.: 61733-01-5
• Molecular Formula: C₁₃H₁₉ClN₂O₃
• Molecular Weight: 286.758
• UNII: ESL4D945VL
• DSSTox Substance ID: DTXSID50459201
• Nikkaji Number: J697.934C
• ChEMBL ID: CHEMBL3544511
• Mol file: 61733-01-5.mol

Synonyms:mono-melphalan;monohydroxymelphalan;OH-melphalan

Chemical Property of Monohydroxymelphalan

Chemical Property:

• Boiling Point: 495.0±45.0 °C(Predicted)
• PKA: 2.12±0.10(Predicted)
• PSA: 86.79000
• Density: 1.319±0.06 g/cm3(Predicted)
• LogP: 1.37880
• XLogP3: -1.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 286.1084202
• Heavy Atom Count: 19
• Complexity: 271

Purity/Quality:

99% ^*data from raw suppliers

HydroxyMelphalan(>90%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(C(=O)O)N)N(CCO)CCCl
• Isomeric SMILES: C1=CC(=CC=C1C[C@@H](C(=O)O)N)N(CCO)CCCl
• Uses: Hydroxymelphalan is an analogue of Melphalan (M216900), an antineoplastic.

Technology Process of Monohydroxymelphalan

There total 3 articles about Monohydroxymelphalan 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: 63.5%

melphalan hydrochloride (3223-07-2,4213-32-5) → C13H20N2O4 (72143-20-5) + monohydroxymelphalan (61733-01-5)

Guidance literature:

With water; at 37 ℃; for 2h;

DOI:10.1021/bc900453f

Reference yield:

melphalan (531-76-0,8057-25-8) → Monohydroxymelphalan (61733-01-5)

Guidance literature:

at 278 ℃; Rate constant; Kinetics; var. temperatures;

DOI:10.1007/BF02218722

Reference yield:

L-PAM (148-82-3,8057-25-8) → C13H20N2O4 (72143-20-5) + C26H37ClN4O6 + C26H37ClN4O6 + C26H36Cl2N4O5 + C26H36Cl2N4O5 + C26H36Cl2N4O5 + C26H36Cl2N4O5 + C26H36Cl2N4O5 + C26H35Cl3N4O4 + C26H35Cl3N4O4 + C26H38N4O7 + C26H38N4O7 + C26H38N4O7 + C26H37ClN4O6 + C26H37ClN4O6 + C26H37ClN4O6 + monohydroxymelphalan (61733-01-5)

Guidance literature:

With water; at 37 ℃; for 3h;

DOI:10.1002/rcm.6515

upstream raw materials:

melphalan

melphalan hydrochloride

L-PAM