4-(Cyclohexylamino)-4-oxobutanoic acid

Base Information

• Chemical Name: 4-(Cyclohexylamino)-4-oxobutanoic acid
• CAS No.: 21451-32-1
• Molecular Formula: C10H17NO3
• Molecular Weight: 199.25
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID60352638
• Nikkaji Number: J2.421.961E
• Wikidata: Q82129891
• ChEMBL ID: CHEMBL1587151
• Mol file: 21451-32-1.mol

Synonyms:4-(cyclohexylamino)-4-oxobutanoic acid;21451-32-1;N-Cyclohexyl-succinamic acid;3-(cyclohexylcarbamoyl)propanoic acid;4-Cyclohexylamino-4-oxobutanoic Acid;N-Cyclohexyl-succinamicacid;TimTec1_002838;Oprea1_232388;Oprea1_382137;MLS000123008;SCHEMBL5326659;CHEMBL1587151;DTXSID60352638;QPFZDZLAUAIBLL-UHFFFAOYSA-N;HMS1542A22;HMS2444B12;WAA45132;BBL035999;STK087044;AKOS000296077;SMR000123689;VS-13290;CS-0316342

Chemical Property of 4-(Cyclohexylamino)-4-oxobutanoic acid

Chemical Property:

• PSA: 66.40000
• LogP: 1.69100
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 199.12084340
• Heavy Atom Count: 14
• Complexity: 209

Purity/Quality:

98%min ^*data from raw suppliers

4-(Cyclohexylamino)-4-oxobutanoic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)NC(=O)CCC(=O)O

Technology Process of 4-(Cyclohexylamino)-4-oxobutanoic acid

There total 1 articles about 4-(Cyclohexylamino)-4-oxobutanoic 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%

succinic acid anhydride (108-30-5) + cyclohexylamine (108-91-8,157973-60-9) → 4-(cyclohexylamine)-4-oxobutanoic acid (21451-32-1)

Guidance literature:

succinic acid anhydride; cyclohexylamine; In N,N-dimethyl acetamide; at 20 ℃; for 24h;

In N,N-dimethyl acetamide; xylene; at 140 ℃; for 48h;

DOI:10.1021/ma049232z

Reference yield: 76.0%

4-(cyclohexylamine)-4-oxobutanoic acid (21451-32-1) + 4-chloro-aniline (106-47-8) → N-(4-chlorophenyl)-N'-cyclohexylbutanediamide

Guidance literature:

With thionyl chloride; triethylamine; In dichloromethane; at 20 ℃;

DOI:10.3390/biom10030443

Reference yield: 68.0%

4-(cyclohexylamine)-4-oxobutanoic acid (21451-32-1) + cyclohexylamine (108-91-8,157973-60-9) → N1,N4-dicyclohexylsuccinamide (41846-03-1)

Guidance literature:

With thionyl chloride; triethylamine; In dichloromethane; at 20 ℃;

DOI:10.3390/biom10030443

upstream raw materials:

succinic acid anhydride

cyclohexylamine

Downstream raw materials:

4-(cyclohexylamino)butanol

1-cyclohexyl-2,5-pyrrolidinedione

2,6-dicyclohexyl-1H,5H-[1,4]dithiino[2,3-c:5,6-c′]dipyrrole-1,3,5,7(2H,6H)-tetrone

3,3'-trisulphane-1,3-diylbis(4-chloro-1-cyclohexyl-1H-pyrrole-2,5-dione)

Refernces

• 1、 Anwar, Tayyaba,Ashraf, Zaman,Imran, Muhammad,Iqbal, Sumbal,Khan, Tariq,Li, Shupeng,Nadeem, Humaira,Naeem, Komal,Sarwar, Sadia,Shah, Fawad Ali. "Succinamide derivatives ameliorate neuroinflammation and oxidative stress in scopolamine-induced neurodegeneration". . . Retrieved 2020/04/10.
• 2、 Kam, Yoo Lim,Rhee, Hee-Kyung,Kim, Hwa-Jung,Back, Seung Keun,Na, Heung Sik,Choo, Hea-Young Park. "Synthesis and bradykinin inhibitory activity of novel non-peptide compounds, and evaluation of in vivo analgesic activity". experimental part. p. 2327 - 2336. Retrieved 2010/05/18.