1-(2-tert-Butoxycarbonylamino-acetyl)-piperidine-4-carboxylic acid

Base Information

• Chemical Name: 1-(2-tert-Butoxycarbonylamino-acetyl)-piperidine-4-carboxylic acid
• CAS No.: 345955-48-8
• Molecular Formula: C₁₃H₂₂N₂O₅
• Molecular Weight: 286.328
• Hs Code.: 2933399090
• European Community (EC) Number: 675-188-6
• DSSTox Substance ID: DTXSID00349825
• Wikidata: Q82125324
• ChEMBL ID: CHEMBL1346731
• Mol file: 345955-48-8.mol

Synonyms:345955-48-8;1-(2-tert-Butoxycarbonylamino-acetyl)-piperidine-4-carboxylic acid;1-(boc-amino-acetyl)-piperidine-4-carboxylic acid;1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-4-carboxylic acid;MFCD05668003;1-(2-((tert-Butoxycarbonyl)amino)acetyl)piperidine-4-carboxylic acid;1-[N-(tert-butoxycarbonyl)glycyl]piperidine-4-carboxylic acid;MLS000082446;HMS2288B12;CHEMBL1346731;SCHEMBL20564153;DTXSID00349825;STL233552;AKOS015996610;SMR000046022;FT-0742308;A1-02289;J-019671;1-(2-((tert-Butoxycarbonyl)amino)acetyl)piperidine-4-carboxylicacid;1-(2-(tert-butoxycarbonylamino)acetyl)piperidine-4-carboxylic acid;1-(2-tert-butoxycarbonylaminoacetyl)piperidine-4-carboxylic acid

Chemical Property of 1-(2-tert-Butoxycarbonylamino-acetyl)-piperidine-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 2.19E-11mmHg at 25°C
• Boiling Point: 500.7°Cat760mmHg
• Flash Point: 256.6°C
• PSA: 95.94000
• Density: 1.213g/cm³
• LogP: 1.16310
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 286.15287181
• Heavy Atom Count: 20
• Complexity: 381

Purity/Quality:

97% ^*data from raw suppliers

1-(2-{[(tert-Butoxy)carbonyl]amino}acetyl)piperidine-4-carboxylic acid 98.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCC(=O)N1CCC(CC1)C(=O)O

Technology Process of 1-(2-tert-Butoxycarbonylamino-acetyl)-piperidine-4-carboxylic acid

There total 2 articles about 1-(2-tert-Butoxycarbonylamino-acetyl)-piperidine-4-carboxylic 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: 49.0%

methyl 1-(2-((tert-butoxycarbonyl)amino)acetyl)piperidine-4-carboxylate → 1-(2-((tert-butoxycarbonyl)amino)acetyl)piperidine-4-carboxylic acid (345955-48-8)

Guidance literature:

With methanol; sodium hydroxide; at 20 ℃;

Reference yield:

BOC-glycine (4530-20-5) + isonipecotic acid methyl ester (2971-79-1) → 1-(2-((tert-butoxycarbonyl)amino)acetyl)piperidine-4-carboxylic acid (345955-48-8)

Guidance literature:

Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; 1-hydroxy-7-aza-benzotriazole / N,N-dimethyl-formamide / 20 °C

2: methanol; sodium hydroxide / 20 °C

With methanol; 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; sodium hydroxide; In N,N-dimethyl-formamide;

upstream raw materials:

BOC-glycine

isonipecotic acid methyl ester

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