1-Boc-piperidine-3-acetic acid

Base Information

• Chemical Name: 1-Boc-piperidine-3-acetic acid
• CAS No.: 183483-09-2
• Molecular Formula: C12H21NO4
• Molecular Weight: 243.303
• Hs Code.: 2933399090
• European Community (EC) Number: 675-169-2
• DSSTox Substance ID: DTXSID60399467
• Mol file: 183483-09-2.mol

Synonyms:183483-09-2;n-boc-3-piperidineacetic acid;1-boc-piperidine-3-acetic acid;2-(1-(tert-butoxycarbonyl)piperidin-3-yl)acetic acid;MFCD02178999;3-Piperidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid;boc-2-(piperidine-3-yl)acetic acid;[1-(tert-butoxycarbonyl)piperidin-3-yl]acetic acid;3-carboxymethyl-piperidine-1-carboxylic acid tert-butyl ester;2-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}acetic acid;rac (1-boc-piperidin-3-yl)-acetic acid;3-carboxymethylpiperidine-1-carboxylic acid tert-butyl ester;1-boc-3-piperidineacetic acid;1-boc-3-piperidine acetic acid;Boc-1-piperidine-3-acetic acid;2-[1-(tert-butoxycarbonyl)piperidin-3-yl]acetic acid;(R)-(1-Boc-piperidin-3-yl)acetic acid;(1-tert-Butoxycarbonyl-piperidin-3-yl)-acetic acid;1-boc-piperidine-3-aceticacid;SCHEMBL1225791;N-Boc-3-piperidineacetic acid,;N-Boc-Piperidin-3-ylacetic acid;DTXSID60399467;QZYGREZDLJVVSV-UHFFFAOYSA-N;STL102638;AKOS005716784;2-(1-BOC-piperidin-3-yl)acetic acid;AB13358;BS-4530;CS-W000209;PB19972;SB10202;SY002534;1-Boc-piperidine-3-acetic acid, AldrichCPR;AM20090072;FT-0601913;FT-0654702;FT-0772859;(r,s)-2-(1-boc-piperidin-3-yl)acetic acid;EN300-64772;A25972;Q-102988

Chemical Property of 1-Boc-piperidine-3-acetic acid

Chemical Property:

• Vapor Pressure: 1.37E-06mmHg at 25°C
• Melting Point: 76-79 °C
• Refractive Index: 1.486
• Boiling Point: 373 °C at 760 mmHg
• PKA: 4.65±0.10(Predicted)
• Flash Point: 179.4 °C
• PSA: 66.84000
• Density: 1.121 g/cm³
• LogP: 2.04610
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 243.14705815
• Heavy Atom Count: 17
• Complexity: 295

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(1-(tert-Butoxycarbonyl)piperidin-3-yl)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,N
• Hazard Codes: T,N
• Statements: 25-50
• Safety Statements: 45-61

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Boc-piperidine-3-acetic acid

There total 2 articles about 1-Boc-piperidine-3-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:

pyridyl-3-yl-acetic acid (501-81-5) → 2-(1-(tert-butoxycarbonyl)piperidin-3-yl)acetic acid (183483-09-2)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Rh-Al₂O₃ / ethanol

2: aq. NaOH / tetrahydrofuran

With sodium hydroxide; hydrogen; rhodium on alumina; In tetrahydrofuran; ethanol; 1: Catalytic hydrogenation / 2: Carboxylation;

DOI:10.1016/S0223-5234(99)80086-5

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) + 3-Piperidinylacetic Acid (74494-52-3) → 2-(1-(tert-butoxycarbonyl)piperidin-3-yl)acetic acid (183483-09-2)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran;

DOI:10.1016/S0223-5234(99)80086-5

Reference yield: 91.0%

3,5-dichloro-4-(3-isopropyl-4-methoxyphenoxy)aniline (355129-24-7) + trifluoroacetic acid (76-05-1) + 2-(1-(tert-butoxycarbonyl)piperidin-3-yl)acetic acid (183483-09-2) → C23H28Cl2N2O3*C2HF3O2

Guidance literature:

3,5-dichloro-4-(3-isopropyl-4-methoxyphenoxy)aniline; 2-(1-(tert-butoxycarbonyl)piperidin-3-yl)acetic acid; With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 20 ℃;

trifluoroacetic acid; In dichloromethane; at 20 ℃; for 17h;

upstream raw materials:

di-tert-butyl dicarbonate

3-Piperidinylacetic Acid

pyridyl-3-yl-acetic acid

Downstream raw materials:

1-t-Butoxycarbonylpiperidine-3-ylmethylcarboxylic acid anilide

Refernces