1-BOC-4-(3-bromophenoxymethyl)piperidine

Base Information

• Chemical Name: 1-BOC-4-(3-bromophenoxymethyl)piperidine
• CAS No.: 180847-24-9
• Molecular Formula: C17H24BrNO3
• Molecular Weight: 370.286
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID60682184
• Wikidata: Q82606485
• Mol file: 180847-24-9.mol

Synonyms:180847-24-9;1-BOC-4-(3-bromophenoxymethyl)piperidine;tert-Butyl 4-((3-bromophenoxy)methyl)piperidine-1-carboxylate;tert-butyl 4-[(3-bromophenoxy)methyl]piperidine-1-carboxylate;SCHEMBL864389;DTXSID60682184;LTWCHLAMFXUHOL-UHFFFAOYSA-N;tert-Butyl4-((3-bromophenoxy)methyl)piperidine-1-carboxylate;MFCD18783168;AKOS015907980;BS-21776;CS-0212352;A881065;tert-Butyl 4-((3-bromophenoxy)methyl)-piperidine-1-carboxylate;4-(3-Bromophenoxymethyl)piperidine-1-carboxylic acid tert-butyl ester

Chemical Property of 1-BOC-4-(3-bromophenoxymethyl)piperidine

Chemical Property:

• PSA: 38.77000
• LogP: 4.41290
• Storage Temp.: 2-8°C
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 369.09396
• Heavy Atom Count: 22
• Complexity: 361

Purity/Quality:

99% ^*data from raw suppliers

1-BOC-4-(3-bromophenoxymethyl)piperidine ^*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)COC2=CC(=CC=C2)Br

Technology Process of 1-BOC-4-(3-bromophenoxymethyl)piperidine

There total 3 articles about 1-BOC-4-(3-bromophenoxymethyl)piperidine 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: 79.0%

3-Bromophenol (591-20-8) + tert-butyl 4-(bromomethyl)piperidine-1-carboxylate (158407-04-6) → tert-butyl 4-((3-bromophenoxy)methyl)piperidine-1-carboxylate (180847-24-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 60 ℃; for 10h; Inert atmosphere;

DOI:10.1016/j.ejmech.2021.113663

Reference yield:

3-Bromophenol (591-20-8) + tert-butyl 4-(hydroxymethyl)piperidin-1-carboxylate (123855-51-6) → tert-butyl 4-((3-bromophenoxy)methyl)piperidine-1-carboxylate (180847-24-9)

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; at 0 ℃; Inert atmosphere;

Reference yield:

→ tert-butyl 4-((3-bromophenoxy)methyl)piperidine-1-carboxylate (180847-24-9)

Guidance literature:

upstream raw materials:

3-Bromophenol

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

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

Downstream raw materials:

tert-butyl 5-(tert-butoxycarbonyl(2-(3-((1-(tert-butoxycarbonyl)piperidin-4-yl)methoxy)phenyl)pyrimidin-4-yl)amino)-1H-indazole-1-carboxylate

N-(2-(3-(piperidin-4-ylmethoxy)phenyl)pyrimidin-4-yl)-1H-indazol-5-amine

tert-butyl 4-((3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)methyl) piperidine-1-carboxylate

Refernces

• 1、 -. "TREATMENT OF GVHD". Paragraph 0262. . Retrieved 2015/11/18.
• 2、 -. "COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS". Page/Page column 30. . Retrieved 2010/10/03.