2-Fluoroglutaric acid

Base Information

• Chemical Name: 2-Fluoroglutaric acid
• CAS No.: 1578-67-2
• Molecular Formula: C₅H₇FO₄
• Molecular Weight: 150.107
• Hs Code.: 2917190090
• NSC Number: 84358
• DSSTox Substance ID: DTXSID00936370
• Nikkaji Number: J40.597C
• Mol file: 1578-67-2.mol

Synonyms:2-Fluoroglutaric acid;2-fluoropentanedioic acid;1578-67-2;Glutaric acid, 2-fluoro-;Pentanedioic acid, 2-fluoro-;NSC 84358;BRN 1907747;AI3-28557;fluoroglutaric acid;WLN: QVYF2VQ;2-fluoranylpentanedioic acid;SCHEMBL2801076;DTXSID00936370;NSC84358;CCG-40485;NSC-84358;AKOS040812956;A810175;F2147-5786

Chemical Property of 2-Fluoroglutaric acid

Chemical Property:

• Vapor Pressure: 0.000102mmHg at 25°C
• Boiling Point: 314.3°Cat760mmHg
• Flash Point: 143.9°C
• PSA: 74.60000
• Density: 1.414g/cm³
• LogP: 0.27390
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 150.03283686
• Heavy Atom Count: 10
• Complexity: 145

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Fluoroglutaric acid

There total 11 articles about 2-Fluoroglutaric acid 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:

ethyl α-nitroglutarate (90609-42-0) → 2-Fluor-glutarsaeure (1578-67-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) KF, 2.) FClO₃ / 1.) MeOH, RT, 0.5 h, 2.) THF, 0 deg C, 1 h

2: AIBN, n-Bu₃SnH / benzene / 2 h / Heating

3: 0.1 N NaOH / 3 h / Ambient temperature

With potassium fluoride; sodium hydroxide; perchloryl fluoride; 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene;

DOI:10.1021/jo00284a017

Reference yield:

diethyl 2-fluoro-2-nitroglutarate (110683-78-8) → 2-Fluor-glutarsaeure (1578-67-2)

Guidance literature:

Multi-step reaction with 2 steps

1: AIBN, n-Bu₃SnH / benzene / 2 h / Heating

2: 0.1 N NaOH / 3 h / Ambient temperature

With sodium hydroxide; 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene;

DOI:10.1021/jo00284a017

Reference yield:

Glutamic acid (617-65-2,21675-62-7,23009-64-5,25104-13-6,84960-48-5,25513-46-6) → 2-Fluor-glutarsaeure (1578-67-2)

Guidance literature:

With pyridine; hydrogen fluoride; sodium nitrite;

DOI:10.1021/jo01336a027

upstream raw materials:

Glutamic acid

2-Fluor-2-methoxycarbonyl-glutarsaeure-dimethylester

2-Fluor-2-(2-carboxy-ethyl)-malonsaeure-diethylester

2-Fluor-4-ethoxycarbonyl-glutarsaeure-diethylester

Refernces