Succinanilic acid

Base Information

• Chemical Name: Succinanilic acid
• CAS No.: 102-14-7
• Molecular Formula: C10H11NO3
• Molecular Weight: 193.202
• Hs Code.: 2924299090
• NSC Number: 56471
• UNII: L4V0G8222E
• DSSTox Substance ID: DTXSID20144511
• Nikkaji Number: J5.005I
• Wikidata: Q27282710
• ChEMBL ID: CHEMBL152730
• Mol file: 102-14-7.mol

Synonyms:4-Anilino-4-oxobutanoic acid;102-14-7;Succinanilic acid;4-Oxo-4-(phenylamino)butanoic acid;N-Phenylsuccinamic acid;Succinic monoanilide;Succinic acid monoanilide;4-Oxo-4-phenylaminobutanoic acid;N-Phenyl-succinamic acid;N-Phenylbutanedioic acid monoamide;BUTANOIC ACID, 4-OXO-4-(PHENYLAMINO)-;MFCD00029825;NSC 56471;Succinamic acid, N-phenyl-;BRN 2806264;UNII-L4V0G8222E;CHEMBL152730;L4V0G8222E;NSC56471;NSC-56471;Propionic acid, 3-(phenylcarbamoyl)-;4-12-00-00468 (Beilstein Handbook Reference);3-(phenylcarbamoyl)propanoic acid;Succinanilsaure;Butanoic acid,4-oxo-4-(phenylamino)-;Maybridge1_006842;ChemDiv2_000397;Cambridge id 5133967;4-Anilino-4-oxobutanoicAcid;Oprea1_388074;Oprea1_552059;SCHEMBL94252;SUCCINANILIC ACID [MI];4-anilino-4-oxo-butanoic acid;HMS560O22;DTXSID20144511;CHEBI:173931;HMS1370C01;4-Oxo-4-(phenylamino)butanoicacid;4-(phenylamino)-4-oxobutanoic acid;BBL036006;BDBM50136839;CCG-44906;STK018310;AKOS000296139;CS-W010689;AS-32051;LS-46387;FT-0662224;FT-0662225;A896886;SR-01000418000;J-000635;SR-01000418000-1;SR-01000418000-2;Q27282710;Z56176896;F0722-4214;L-000341257

Chemical Property of Succinanilic acid

Chemical Property:

• Vapor Pressure: 2.41E-09mmHg at 25°C
• Melting Point: 144-146°C
• Refractive Index: 1.599
• Boiling Point: 462.3 °C at 760 mmHg
• PKA: pK (25°) 4.69
• Flash Point: 233.4 °C
• PSA: 66.40000
• Density: 1.286 g/cm³
• LogP: 1.56290
• Storage Temp.: Refrigerator, Under Inert Atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 193.07389321
• Heavy Atom Count: 14
• Complexity: 209

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Anilino-4-oxobutanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=O)CCC(=O)O
• Uses: The metabolite (MII) of Suberoylanilide Hydroxamic Acid (S688700).

Technology Process of Succinanilic acid

There total 19 articles about Succinanilic 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: 100.0%

N-phenyl-succinamic acid methyl ester (5430-83-1) → N-phenyl-succinamic acid (102-14-7)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; methanol; water;

DOI:10.1016/j.bmcl.2007.01.053

Reference yield: 100.0%

→ N-phenyl-succinamic acid (102-14-7)

Guidance literature:

Reference yield: 96.0%

succinic acid anhydride (108-30-5) + aniline (62-53-3) → N-phenyl-succinamic acid (102-14-7)

Guidance literature:

In toluene; for 3h; Reflux;

DOI:10.1039/c5sc02824h

upstream raw materials:

succinic acid anhydride

chloroform

aniline

N,N-diphenylthiourea

Downstream raw materials:

p-nitrosuccinanilic acid

aniline

2-[4-(3-carboxypropionylamino)benzenesulphonylamino]pentanedioic acid

1-phenylpyrrolidin-2-one

Refernces

• 1、 Correa-Basurto, Jose,Flores-Sandoval, Cesar,Marin-Cruz, Jesus,Rojo-Dominguez, Arturo,Espinoza-Fonseca, L. Michel,Trujillo-Ferrara, Jose G.. "Docking and quantum mechanic studies on cholinesterases and their inhibitors". . p. 10 - 19. Retrieved 2007.
• 2、 Cai, Xuekang,Zhang, Jia,Lu, Jiaqi,Yi, Long,Han, Zheng,Zhang, Shuixing,Yang, Xing,Liu, Guanshu. "N-Aryl Amides as Chemical Exchange Saturation Transfer Magnetic Resonance Imaging Contrast Agents". . p. 11705 - 11709. Retrieved 2020.
• 3、 -. "Polysubstituted purine compound as well as preparation method and application thereof". Paragraph 0098-0100. . Retrieved 2021/10/27.
• 4、 Ma, Yingying,Yang, Xiaorong,Han, Hongwei,Wen, Zhongling,Yang, Minkai,Zhang, Yahan,Fu, Jiangyan,Wang, Xuan,Yin, Tongming,Lu, Guihua,Qi, Jinliang,Lin, Hongyan,Wang, Xiaoming,Yang, Yonghua. "Design, synthesis and biological evaluation of anilide (dicarboxylic acid) shikonin esters as antitumor agents through targeting PI3K/Akt/mTOR signaling pathway". . . Retrieved 2021/04/12.