tert-Butyl 4-(bromomethyl)piperidine-1-carboxylate

Base Information

• Chemical Name: tert-Butyl 4-(bromomethyl)piperidine-1-carboxylate
• CAS No.: 158407-04-6
• Molecular Formula: C11H20BrNO2
• Molecular Weight: 278.189
• Hs Code.: 2933399090
• European Community (EC) Number: 808-755-5
• DSSTox Substance ID: DTXSID40573521
• Wikidata: Q72502541
• Mol file: 158407-04-6.mol

Synonyms:158407-04-6;tert-Butyl 4-(bromomethyl)piperidine-1-carboxylate;1-Boc-4-bromomethylpiperidine;4-Bromomethyl-piperidine-1-carboxylic acid tert-butyl ester;N-Boc-4-Bromomethyl-piperidine;1-PIPERIDINECARBOXYLIC ACID, 4-(BROMOMETHYL)-, 1,1-DIMETHYLETHYL ESTER;MFCD04115538;1-Boc-4-(bromomethyl)piperidine;tert-butyl4-(bromomethyl)piperidine-1-carboxylate;1-Boc-4-bromomethyl-piperidine;N-BOC-4-BROMOMETHYLPIPERIDINE;1-N-Boc-4-(bromomethyl)piperidine;SCHEMBL8206;N-Boc 4-bromomethyl piperidine;N-Boc-4-(bromomethyl)piperidine;DTXSID40573521;YGJXBTRLYHCWGD-UHFFFAOYSA-N;4-(Bromomethyl)piperidine-1-carboxylic acid tert-butyl ester;BCP03930;CS-D1557;AKOS005255518;PB14390;AC-23084;AS-18131;SY004936;1-Boc-4-bromomethylpiperidine, AldrichCPR;4-bromomethyl-1-tert-butoxycarbonylpiperidine;A3489;AM20080422;EN300-154230;tert-butyl4-bromomethylpiperidine-1-carboxylate;tert-butyl 4-bromomethylpiperidine-1-carboxylate;tert-butyl 4-(bromomethyl)-1-piperidinecarboxylate;Q-102978;tert-butyl 4-(bromomethyl)-1-piperidine carboxylate;tert-butyl 4-(bromomethyl)-piperidine-1-carboxylate;1,1-Dimethylethyl 4-(bromomethyl)-1-piperidinecarboxylate;4-Bromomethyl-piperidine-1-carboxylic acid tert-butyk ester;4-bromomethyl-piperidine -1-carboxylic acid tert-butyl ester;4-Bromomethylpiperidine-1-carboxylic acid tert-butyl ester, 95%;4-Bromomethyl-piperidine-1-carboxylic acid tert-butyl ester, AldrichCPR

Chemical Property of tert-Butyl 4-(bromomethyl)piperidine-1-carboxylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.495
• Boiling Point: 318.337 °C at 760 mmHg
• PKA: -1.91±0.40(Predicted)
• Flash Point: 146.325 °C
• PSA: 29.54000
• Density: 1.271 g/cm³
• LogP: 2.96630
• Storage Temp.: Room temperature.
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 277.06774
• Heavy Atom Count: 15
• Complexity: 217

Purity/Quality:

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

1-Boc-4-bromomethylpiperidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: R36/37/38:
• Statements: 36/37/38-36
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC(CC1)CBr
• Uses: 4-Bromomethypiperidine-1-carboxylic acid tert-butyl ester can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly in laboratory research and development process and chemical production process.

Technology Process of tert-Butyl 4-(bromomethyl)piperidine-1-carboxylate

There total 9 articles about tert-Butyl 4-(bromomethyl)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: 95.0%

tert-butyl 4-(hydroxymethyl)piperidin-1-carboxylate (123855-51-6) → tert-butyl 4-(bromomethyl)piperidine-1-carboxylate (158407-04-6)

Guidance literature:

With carbon tetrabromide; triphenylphosphine; In dichloromethane; at 20 ℃; for 1h;

Reference yield: 90.0%

→ tert-butyl 4-(bromomethyl)piperidine-1-carboxylate (158407-04-6)

Guidance literature:

Reference yield: 85.4%

tert-butyl 4-(((methylsulfonyl)oxy)methyl)piperidine-1-carboxylate (161975-39-9) → tert-butyl 4-(bromomethyl)piperidine-1-carboxylate (158407-04-6)

Guidance literature:

With lithium bromide; In acetone; Reflux;

DOI:10.1016/j.ejmech.2017.12.079

upstream raw materials:

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

isonipecotic acid

di-tert-butyl dicarbonate

N-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid

Downstream raw materials:

4-[4-(4-Amino-3-fluorophenoxy)-6-cyanoquinolin-7-yloxymethyl]-piperidine-1-carboxylic acid tert-butyl ester

N₆-Ethyl-4-(3-chloro-4-(((methylamino)carbonyl)amino)phenoxy)-7-((1-methyl-4-piperidyl)methoxy)-6-quinolinecarboxamide

tert-butyl 4-(2-(3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl)-3-ethoxy-2-methyl-3-oxopropyl)piperidine-1-carboxylate

Refernces

• 1、 -. "BROAD SPECTRUM ANTI-CANCER COMPOUNDS". Page/Page column 328. . Retrieved 2021/04/23.
• 2、 Denis, Camille,Dobbs, Adrian P.,Garcia, Anthony D.,Goodall, Iain C. A.,Lam, Kevin,Leech, Matthew C.,Petti, Alessia. "Anodic oxidation of dithiane carboxylic acids: A rapid and mild way to access functionalized orthoesters". supporting information. p. 4000 - 4005. Retrieved 2020/06/08.