3-Amino-4-piperidin-1-yl-benzoic acid

Base Information

• Chemical Name: 3-Amino-4-piperidin-1-yl-benzoic acid
• CAS No.: 26586-27-6
• Molecular Formula: C12H16 N2 O2
• Molecular Weight: 220.27
• Hs Code.: 2933399090
• European Community (EC) Number: 869-709-8
• DSSTox Substance ID: DTXSID70355610
• Wikidata: Q82134618
• ChEMBL ID: CHEMBL1421043
• Mol file: 26586-27-6.mol

Synonyms:26586-27-6;3-Amino-4-piperidin-1-yl-benzoic acid;3-amino-4-(piperidin-1-yl)benzoic acid;3-amino-4-piperidin-1-ylbenzoic acid;3-amino-4-(piperidin-1-yl)benzoicacid;MFCD02225752;3-amino-4-(1-piperidinyl)benzoic acid;Benzoic acid, 3-amino-4-(1-piperidinyl)-;3-AMINO-4-PIPERIDIN-1-YL-BENZOICACID;Oprea1_314737;Oprea1_389764;MLS000067499;CHEMBL1421043;DTXSID70355610;HMS2185F15;BBA58627;BBL029633;STL182517;AKOS000273767;SB41053;3-Amino-3-piperidin-1-yl-benzoic acid;DS-11572;SMR000125014;BB 0255259;CS-0155270;FT-0677058;Y13584;EN300-7373678;A911050;AS-871/14538368;3-amino-4-piperidin-1-yl-benzoic acid, AldrichCPR;F3099-6570;Z715584700

Chemical Property of 3-Amino-4-piperidin-1-yl-benzoic acid

Chemical Property:

• Vapor Pressure: 1.17E-08mmHg at 25°C
• Boiling Point: 443.9°Cat760mmHg
• Flash Point: 222.2°C
• PSA: 66.56000
• Density: g/cm³
• LogP: 2.60350
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 220.121177757
• Heavy Atom Count: 16
• Complexity: 251

Purity/Quality:

98%min ^*data from raw suppliers

3-amino-4-(piperidin-1-yl)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)N

Technology Process of 3-Amino-4-piperidin-1-yl-benzoic acid

There total 2 articles about 3-Amino-4-piperidin-1-yl-benzoic 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:

3-nitro-4-(piperidin-1-yl)benzoic acid (26586-26-5) → 3-amino-4-piperidin-1-yl-benzoic acid (26586-27-6)

Guidance literature:

With hydrogen; acetic acid; palladium on activated charcoal; In methanol; ethyl acetate; under 760.051 Torr;

DOI:10.1016/j.bmcl.2007.09.057

Reference yield:

→ 3-amino-4-piperidin-1-yl-benzoic acid (26586-27-6)

Guidance literature:

3-Nitro-4-piperidinobenzoesaeure, FeSO4 / NaOH;

DOI:10.1039/j39700000825

Reference yield:

5-cyanofuran-2-carbonyl chloride (791587-69-4) + 3-amino-4-piperidin-1-yl-benzoic acid (26586-27-6) → C18H17N3O4

Guidance literature:

With PS-morpholine; In 1,4-dioxane; at 70 ℃; for 2h;

DOI:10.1016/j.bmcl.2007.09.057

upstream raw materials:

3-nitro-4-(piperidin-1-yl)benzoic acid

Refernces

• 1、 Patch, Raymond J.,Brandt, Benjamin M.,Asgari, Davoud,Baindur, Nand,Chadha, Naresh K.,Georgiadis, Taxiarchis,Cheung, Wing S.,Petrounia, Ioanna P.,Donatelli, Robert R.,Chaikin, Margery A.,Player, Mark R.. "Potent 2′-aminoanilide inhibitors of cFMS as potential anti-inflammatory agents". . p. 6070 - 6074. Retrieved 2008/03/18.