Butanoic acid, 4-(dimethylamino)-4-oxo-

Base Information

• Chemical Name: Butanoic acid, 4-(dimethylamino)-4-oxo-
• CAS No.: 2564-95-6
• Molecular Formula: C6H11NO3
• Molecular Weight: 145.158
• Hs Code.: 2924199090
• European Community (EC) Number: 803-713-2
• NSC Number: 46778
• UNII: 19QG006ARN
• DSSTox Substance ID: DTXSID3062524
• Nikkaji Number: J308.131A
• Wikidata: Q81990084
• Mol file: 2564-95-6.mol

Synonyms:N,N-dimethylsuccinamic acid

Chemical Property of Butanoic acid, 4-(dimethylamino)-4-oxo-

Chemical Property:

• Vapor Pressure: 0.000321mmHg at 25°C
• Melting Point: 82-83 °C
• Boiling Point: 297.5 °C at 760 mmHg
• PKA: 4.94±0.10(Predicted)
• Flash Point: 133.7 °C
• PSA: 57.61000
• Density: 1.146 g/cm³
• LogP: -0.06060
• Water Solubility.: Slightly soluble in water.
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 145.07389321
• Heavy Atom Count: 10
• Complexity: 142

Purity/Quality:

99% ^*data from raw suppliers

4-(Dimethylamino)-4-oxobutanoic acid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25-37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C(=O)CCC(=O)O
• Uses: It is employed as a intermediate for pharmaceutical.

Technology Process of Butanoic acid, 4-(dimethylamino)-4-oxo-

There total 6 articles about Butanoic acid, 4-(dimethylamino)-4-oxo- 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: 59.0%

N,N-Dimethylacrylamide (2680-03-7,68761-83-1) + cesium formate (3495-36-1) → N,N-dimethylsuccinamic acid (2564-95-6)

Guidance literature:

With bis[3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridyl]phenyl]iridium⁽¹⁺⁾; 2-(2-pyridyl)pyridine; hexafluorophosphate; In dimethyl sulfoxide; at 50 ℃; for 12h; Inert atmosphere; Irradiation;

DOI:10.1021/acscatal.1c04684

Reference yield:

succinic acid anhydride (108-30-5) + N,N-dimethylammonium chloride (506-59-2) → N,N-dimethylsuccinamic acid (2564-95-6)

Guidance literature:

With triethylamine; In ethyl acetate; at 50 ℃; for 5h; Inert atmosphere;

Reference yield:

succinic acid anhydride (108-30-5) + dimethyl amine (124-40-3) → N,N-dimethylsuccinamic acid (2564-95-6)

Guidance literature:

With ethanol;

upstream raw materials:

succinic acid anhydride

dimethyl amine

N,N-dimethyl-formamide

succinic acid

Downstream raw materials:

4-dimethylamino-1-butanol

C₃₀H₄₁N₃O₃

(E)-N-(4-Dimethylamino-butyl)-3-(4-methoxy-phenyl)-N-methyl-acrylamide

N-(4-Dimethylamino-butyl)-3-(4-methoxy-phenyl)-N-methyl-propionamide

Refernces

• 1、 Fedorov,Bogdanov,Fadeev,Lagodzinskaya. "Synthesis and antiischemic activity of dicarboxylic nitroxyalkylamides and nitroxyalkylimides". . p. 1119 - 1125. Retrieved 2015/04/14.
• 2、 -. "NEW SUCCINATE DERIVATIVES". Page/Page column 45. . Retrieved 2015/01/09.