1-Fluoro-1,1,3-propanetricarboxamide

Base Information

• Chemical Name: 1-Fluoro-1,1,3-propanetricarboxamide
• CAS No.: 18491-25-3
• Molecular Formula: C6H10FN3O3
• Molecular Weight: 191.1603
• NSC Number: 81758
• UNII: W59P4WQ4B4
• DSSTox Substance ID: DTXSID10171679
• Wikidata: Q83041807
• Mol file: 18491-25-3.mol

Synonyms:1-Fluoro-1,1,3-propanetricarboxamide;1-fluoropropane-1,1,3-tricarboxamide;18491-25-3;W59P4WQ4B4;NSC81758;NSC 81758;UNII-W59P4WQ4B4;NSC-81758;1,1,3-Propanetricarboxamide, 1-fluoro-;NCIOpen2_000836;DTXSID10171679

Chemical Property of 1-Fluoro-1,1,3-propanetricarboxamide

Chemical Property:

• Vapor Pressure: 3.02E-15mmHg at 25°C
• Boiling Point: 618.9°Cat760mmHg
• Flash Point: 328.1°C
• Density: 1.411g/cm³
• XLogP3: -2.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 191.07061935
• Heavy Atom Count: 13
• Complexity: 240

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC(C(=O)N)(C(=O)N)F)C(=O)N

Technology Process of 1-Fluoro-1,1,3-propanetricarboxamide

There total 2 articles about 1-Fluoro-1,1,3-propanetricarboxamide 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:

2-Ethoxycarbonimidoyl-2-fluoro-pentanedioic acid diethyl ester (18283-09-5) → 2-Carbamoyl-2-fluoro-pentanedioic acid diamide (18491-25-3)

Guidance literature:

With ammonium hydroxide; In methanol;

DOI:10.1021/jm00316a008

Reference yield:

diethyl 2-cyanoglutarate (7251-97-0) → 2-Carbamoyl-2-fluoro-pentanedioic acid diamide (18491-25-3)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) EtOH, (ii) ClO₃F

2: aq. NH₃ / methanol

With ammonium hydroxide; In methanol;

DOI:10.1021/jm00316a008

upstream raw materials:

2-Ethoxycarbonimidoyl-2-fluoro-pentanedioic acid diethyl ester

diethyl 2-cyanoglutarate