N-Boc-4-iodopiperidine

Base Information

• Chemical Name: N-Boc-4-iodopiperidine
• CAS No.: 301673-14-3
• Molecular Formula: C10H18INO2
• Molecular Weight: 311.163
• Hs Code.: 29389090
• European Community (EC) Number: 690-647-0
• DSSTox Substance ID: DTXSID90447440
• Nikkaji Number: J2.706.094C
• Wikidata: Q72449699
• Mol file: 301673-14-3.mol

Synonyms:301673-14-3;N-Boc-4-iodopiperidine;Tert-butyl 4-iodopiperidine-1-carboxylate;N-Boc-4-iodo-piperidine;1-Boc-4-Iodopiperidine;1-(tert-Butoxycarbonyl)-4-iodopiperidine;4-iodo-N-Boc-piperidine;MFCD04115041;TERT-BUTYL 4-IODOTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE;4-Iodo-piperidine-1-carboxylic acid tert-butyl ester;4-Iodopiperidine-1-carboxylic acid tert-butyl ester;1-tert-Butoxycarbonyl-4-iodopiperidine;tert-Butyl 4-iodo-1-piperidinecarboxylate;1-Piperidinecarboxylic acid, 4-iodo-, 1,1-dimethylethyl ester;tert-butyl4-iodopiperidine-1-carboxylate;SCHEMBL73480;DTXSID90447440;YFWQFKUQVJNPKP-UHFFFAOYSA-N;BCP16505;BBL102733;n-t-butoxycarbonyl-4-iodo-piperidine;STL556539;1-Boc-4-iodo-piperidine, AldrichCPR;AKOS005073125;CS-W003177;HY-W003177;KC-0717;PB26134;1-(t-butoxycarbonyl)-4-iodo-piperidine;N-tert-butoxycarbonyl-4-iodo-piperidine;AC-28239;SY018495;AM20090410;B4164;BB 0263045;FT-0650321;EN300-43010;N-(TERT-BUTOXYCARBONYL)-4-IODOPIPERIDINE;TERT-BUTYL-4-IODOPIPERIDINE-1-CARBOXYLATE;4-Iodo-1-piperidinecarboxylic Acid tert-Butyl Ester;J-524714;1,1-Dimethylethyl 4-iodo-1-piperidine-1-carboxylate;4-Iodo-piperidine-1-carboxylic acid, tert-butyl ester

Chemical Property of N-Boc-4-iodopiperidine

Chemical Property:

• Vapor Pressure: 0.000352mmHg at 25°C
• Melting Point: 35-38 °C
• Refractive Index: 1.542
• Boiling Point: 318.8 °C at 760 mmHg
• PKA: -2.54±0.40(Predicted)
• Flash Point: 146.6 °C
• PSA: 29.54000
• Density: 1.5 g/cm³
• LogP: 2.75880
• Storage Temp.: 0-10°C
• Sensitive.: Light Sensitive
• Water Solubility.: Slightly soluble in water. Soluble in methanol.
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 311.03823
• Heavy Atom Count: 14
• Complexity: 205

Purity/Quality:

97% ^*data from raw suppliers

1-tert-Butoxycarbonyl-4-iodopiperidine >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 22-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC(CC1)I
• Uses: Used in the coupling reaction in Iron-and Cobalt-Catalyzed Arylation of Azetidines, Pyrrolidines, and Piperidines with Grignard Reagents.

Technology Process of N-Boc-4-iodopiperidine

There total 6 articles about N-Boc-4-iodopiperidine 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: 96.0%

N-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid (84358-13-4,174286-31-8) → tert-butyl 4-iodopiperidine-1-carboxylate (301673-14-3)

Guidance literature:

With 1,3-Diiodo-5,5-dimethyl-2,4-imidazolidinedione; In chlorobenzene; for 1h; Product distribution / selectivity; Reflux; Fluorescent lighting;

Reference yield: 93.0%

t-butyl 4-hydroxy piperidine-1-carboxylate (109384-19-2) → tert-butyl 4-iodopiperidine-1-carboxylate (301673-14-3)

Guidance literature:

With 1H-imidazole; iodine; triphenylphosphine; In dichloromethane; at 0 - 20 ℃; for 18h;

Reference yield: 70.0%

1H-imidazole (288-32-4) + t-butyl 4-hydroxy piperidine-1-carboxylate (109384-19-2) → tert-butyl 4-iodopiperidine-1-carboxylate (301673-14-3)

Guidance literature:

With iodine; triphenylphosphine; In acetonitrile; at 20 ℃; for 0.166667h;

1H-imidazole; In acetonitrile; at 20 ℃; for 0.166667h;

t-butyl 4-hydroxy piperidine-1-carboxylate; With sodium thiosulfate; more than 3 stages;

upstream raw materials:

t-butyl 4-hydroxy piperidine-1-carboxylate

4-HYDROXYPIPERIDINE

di-tert-butyl dicarbonate

1H-imidazole

Downstream raw materials:

3',4',5',6'-tetrahydro-2'H-[2,4'-bipyridine]-1'-carboxylic acid tert-butyl ester

tert-butyl 4-[4-(ethoxycarbonyl)phenyl]piperidine-1-carboxylate

4-(prop-2-en-1-yl)-1-t-butoxycarbonylpiperidine

tert-butyl 4-(4-methoxyphenyl)piperidine-1-carboxylate