Dbmtx

Base Information

• Chemical Name: Dbmtx
• CAS No.: 50602-77-2
• Molecular Formula: C28H38N8O5
• Molecular Weight: 566.65
• NSC Number: 305985
• ChEMBL ID: CHEMBL417866
• Mol file: 50602-77-2.mol

Synonyms:DBMTX;methotrexate di-n-butyl ester;NSC 305985;NSC-305985

Chemical Property of Dbmtx

Chemical Property:

• PSA: 188.54000
• Density: 1.272g/cm³
• LogP: 4.33910
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 17
• Exact Mass: 566.29651634
• Heavy Atom Count: 41
• Complexity: 827

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)CCC(C(=O)OCCCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N

Technology Process of Dbmtx

There total 2 articles about Dbmtx 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:

1-bromo-butane (109-65-9) + disodium methotrexate (7413-34-5) → di-n-butyl methotrexate (50602-77-2)

Guidance literature:

With caesium carbonate; In dimethyl sulfoxide;

DOI:10.1016/j.ijpharm.2021.120479

Reference yield:

→ 2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoyl}-glutamic acid dibutyl ester (50602-77-2)

Guidance literature:

Methotrexat,Butanol,HCl;

DOI:10.1021/jm00268a029

upstream raw materials:

1-bromo-butane

disodium methotrexate

Refernces

• 1、 Rosowsky. "Methotrexate analogs. 2. A facile method of preparation of lipophilic derivatives of methotrexate and 3',5' dichloromethotrexate by direct esterification". . p. 1190 - 1193. Retrieved 2007/10/09.