1-[(Tert-butyl)oxycarbonyl]-3-(4-chlorobenzyl)piperidine-3-carboxylic acid

Base Information

• Chemical Name: 1-[(Tert-butyl)oxycarbonyl]-3-(4-chlorobenzyl)piperidine-3-carboxylic acid
• CAS No.: 174606-16-7
• Molecular Formula: C18H24 Cl N O4
• Molecular Weight: 353.846
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID80403570
• Mol file: 174606-16-7.mol

Synonyms:174606-16-7;1-[(TERT-BUTYL)OXYCARBONYL]-3-(4-CHLOROBENZYL)PIPERIDINE-3-CARBOXYLIC ACID;1-(tert-Butoxycarbonyl)-3-(4-chlorobenzyl)-3-piperidinecarboxylic acid;3-[(4-chlorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic Acid;1-(tert-Butoxycarbonyl)-3-(4-chlorobenzyl)piperidine-3-carboxylic acid;1-Boc-3-(4-chlorobenzyl)-3-carboxypiperidine;1-(tert-Butoxycarbonyl)-3-(4-chlorobenzyl)piperidine-3-carboxylicacid;NFBWLXLJPIEKQE-UHFFFAOYSA-N;AR1286;1,3-Piperidinedicarboxylic acid, 3-[(4-chlorophenyl)methyl]-, 1-(1,1-dimethylethyl) ester;SCHEMBL8875851;DTXSID80403570;MFCD03840048;AKOS005072164;AB91481;1-(tert-butoxycarbonyl)-3-[(4-chlorophenyl)methyl]piperidine-3-carboxylic acid;CS-0171772;FT-0680912;A881678;J-503640;N-boc-3-(4-chlorobenzyl)piperidin-3-carboxylic acid;1-[(tert-butoxy)carbonyl]-3-[(4-chlorophenyl)methyl]piperidine-3-carboxylic acid

Chemical Property of 1-[(Tert-butyl)oxycarbonyl]-3-(4-chlorobenzyl)piperidine-3-carboxylic acid

Chemical Property:

• PSA: 66.84000
• LogP: 3.92230
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 353.1393859
• Heavy Atom Count: 24
• Complexity: 468

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Chlorobenzyl)piperidine-3-carboxylic acid, N-Boc protected ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCCC(C1)(CC2=CC=C(C=C2)Cl)C(=O)O

Technology Process of 1-[(Tert-butyl)oxycarbonyl]-3-(4-chlorobenzyl)piperidine-3-carboxylic acid

There total 1 articles about 1-[(Tert-butyl)oxycarbonyl]-3-(4-chlorobenzyl)piperidine-3-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:

1-(tert-butyl) 3-ethyl 3-(4-chlorobenzyl)piperidine-1,3-dicarboxylate (174606-15-6) → 1-(tert-butoxycarbonyl)-3-(4-chlorobenzyl)piperidine-3-carboxylic acid (174606-16-7)

Guidance literature:

With hydrogenchloride; sodium hydroxide;

Reference yield:

1-(tert-butoxycarbonyl)-3-(4-chlorobenzyl)piperidine-3-carboxylic acid (174606-16-7) → tert-butyl 3-amino-3-(4-chlorobenzyl)piperidine-1-carboxylate

Guidance literature:

Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine; diphenyl phosphoryl azide / toluene / 2.5 h / 20 °C

2: water; sodium hydroxide / 1,4-dioxane / 1 h / 20 °C

With diphenyl phosphoryl azide; water; N-ethyl-N,N-diisopropylamine; sodium hydroxide; In 1,4-dioxane; toluene;

Reference yield:

1-(tert-butoxycarbonyl)-3-(4-chlorobenzyl)piperidine-3-carboxylic acid (174606-16-7) → C18H23ClN2O3

Guidance literature:

With diphenyl phosphoryl azide; N-ethyl-N,N-diisopropylamine; In toluene; at 20 ℃; for 2.5h;

upstream raw materials:

1-(tert-butyl) 3-ethyl 3-(4-chlorobenzyl)piperidine-1,3-dicarboxylate

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