Tert-butyl 4-(iodomethyl)piperidine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 4-(iodomethyl)piperidine-1-carboxylate
• CAS No.: 145508-94-7
• Molecular Formula: C11H20INO2
• Molecular Weight: 325.19
• Hs Code.: 2933399090
• European Community (EC) Number: 827-606-5
• DSSTox Substance ID: DTXSID40440148
• Nikkaji Number: J2.959.740E
• Wikidata: Q72449687
• Mol file: 145508-94-7.mol

Synonyms:145508-94-7;Tert-butyl 4-(iodomethyl)piperidine-1-carboxylate;1-Boc-4-iodomethyl-piperidine;4-Iodomethyl-piperidine-1-carboxylic acid tert-butyl ester;1-Boc-4-(iodomethyl)piperidine;1-Piperidinecarboxylic acid, 4-(iodomethyl)-, 1,1-dimethylethyl ester;MFCD08437653;1-Boc-4-iodomethylpiperidine;4-Iodomethylpiperidine-1-carboxylic acid tert-butyl ester;1-TERT-BUTOXYCARBONYL-4-(IODOMETHYL)PIPERIDINE;SCHEMBL735207;DTXSID40440148;RSMNYTJCWIDZAH-UHFFFAOYSA-N;AKOS015897835;PB10557;1-t-butoxycarbonyl-4-iodomethylpiperidine;AC-25622;AM100252;BP-11971;DS-14136;SY026786;BB 0263037;CS-0041008;FT-0688668;EN300-40046;1-(t-butoxycarbonyl)-4-(iodomethyl)piperidine;tert-butyl 4-iodomethylpiperidine-1-carboxylate;tert-butyl 4-(iodomethyl)piperidine-1-caroxylate;Tert-butyl4-(iodomethyl)piperidine-1-carboxylate;1,1-Dimethylethyl 4-(iodomethyl)-1-piperidinecarboxylate;4-(Iodomethyl)piperidine-1-carboxylic acid tert-butyl ester;4-iodomethyl-1-piperidinecarboxylic acid, 1-(1,1-dimethylethyl) ester

Chemical Property of Tert-butyl 4-(iodomethyl)piperidine-1-carboxylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.528
• Boiling Point: 336.593 °C at 760 mmHg
• PKA: -1.82±0.40(Predicted)
• Flash Point: 157.366 °C
• PSA: 29.54000
• Density: 1.448 g/cm³
• LogP: 3.00640
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 325.05388
• Heavy Atom Count: 15
• Complexity: 217

Purity/Quality:

99%, ^*data from raw suppliers

tert-Butyl4-(Iodomethyl)piperidine-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Tert-butyl 4-(iodomethyl)piperidine-1-carboxylate

There total 12 articles about Tert-butyl 4-(iodomethyl)piperidine-1-carboxylate 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: 97.0%

tert-butyl 4-(hydroxymethyl)piperidin-1-carboxylate (123855-51-6) → tert-butyl 4-(iodomethyl)piperidine-1-carboxylate (145508-94-7)

Guidance literature:

With 1H-imidazole; iodine; triphenylphosphine; In tetrahydrofuran; at 20 ℃;

DOI:10.1016/j.bmcl.2019.126888

Reference yield: 77.0%

2-(1-(tert-butoxycarbonyl)piperidin-4-yl)acetic acid (157688-46-5) → tert-butyl 4-(iodomethyl)piperidine-1-carboxylate (145508-94-7)

Guidance literature:

With 1,3-Diiodo-5,5-dimethyl-2,4-imidazolidinedione; In 1,2-dichloro-ethane; for 2h; Irradiation; Inert atmosphere; Reflux;

DOI:10.1002/adsc.201100145

Reference yield: 77.0%

→ tert-butyl 4-(iodomethyl)piperidine-1-carboxylate (145508-94-7)

Guidance literature:

upstream raw materials:

tert-butyl 4-(hydroxymethyl)piperidin-1-carboxylate

4-carbethoxypiperidine

di-tert-butyl dicarbonate

1-tert-butyl 4-ethyl piperidine-1,4-dicarboxylate

Downstream raw materials:

4-[2-(6-Benzoylamino-benzo[d]isoxazol-3-yl)-ethyl]-piperidine-1-carboxylic acid tert-butyl ester

4-[2-(6-Benzenesulfonylamino-benzo[d]isoxazol-3-yl)-ethyl]-piperidine-1-carboxylic acid tert-butyl ester

1,1-dimethylethyl 4-[5-amino-6-(2,3-dichlorophenyl)-2,3-dihydro-3-imino-1,2,4-triazin-2-ylmethyl]piperidine-1-carboxylate

4-((2S,3R)-2-Benzyloxycarbonyl-4-oxo-azetidin-3-ylmethyl)-piperidine-1-carboxylic acid tert-butyl ester