(2S)-2-Phenyl-2-[(S)-2-piperidinyl]acetic acid

Base Information

• Chemical Name: (2S)-2-Phenyl-2-[(S)-2-piperidinyl]acetic acid
• CAS No.: 129389-68-0
• Molecular Formula: C13H17NO2
• Molecular Weight: 219.283
• DSSTox Substance ID: DTXSID301314194
• Nikkaji Number: J1.615.275G
• Mol file: 129389-68-0.mol

Synonyms:L-threo-Ritalinic Acid;129389-68-0;(2S)-2-phenyl-2-[(2S)-piperidin-2-yl]acetic acid;(2S)-2-Phenyl-2-[(S)-2-piperidinyl]acetic acid;54631-24-2;DL-threo-Ritalinic AcidSee R533110;1382859-13-3;SCHEMBL12550069;See R533110"";DTXSID301314194;A902875;J-005673

Chemical Property of (2S)-2-Phenyl-2-[(S)-2-piperidinyl]acetic acid

Chemical Property:

• PSA: 49.33000
• LogP: 2.32570
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 219.125928785
• Heavy Atom Count: 16
• Complexity: 236

Purity/Quality:

97% ^*data from raw suppliers

L-THREO-RITALINIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O
• Isomeric SMILES: C1CCN[C@@H](C1)[C@H](C2=CC=CC=C2)C(=O)O
• Uses: Metabolite of L-Methylphenidate.

Technology Process of (2S)-2-Phenyl-2-[(S)-2-piperidinyl]acetic acid

There total 1 articles about (2S)-2-Phenyl-2-[(S)-2-piperidinyl]acetic 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:

threo-(-)-Methylphenidate (40572-71-2) → l-ritalinic acid (129389-68-0,1076192-92-1,54631-24-2,744954-37-8)

Guidance literature:

threo-(-)-Methylphenidate; With potassium hydroxide; water; In water; Heating / reflux;

With acetic acid; In water; for 4h; pH=6.2;

Reference yield:

l-ritalinic acid (129389-68-0,1076192-92-1,54631-24-2,744954-37-8) → 2-phenyl-2-(piperidin-2-yl)acetic acid (1076192-92-1,54631-24-2,744954-37-8)

Guidance literature:

l-ritalinic acid; With 1,4-diaza-bicyclo[2.2.2]octane; at 160 ℃; for 5h;

With potassium hydroxide; In water; toluene;

upstream raw materials:

threo-(-)-Methylphenidate

Downstream raw materials:

2-phenyl-2-(piperidin-2-yl)acetic acid