Tert-butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate
• CAS No.: 156185-63-6
• Molecular Formula: C13H25NO3
• Molecular Weight: 243.346
• Hs Code.: 2933399090
• European Community (EC) Number: 675-961-8
• DSSTox Substance ID: DTXSID70384182
• Nikkaji Number: J1.764.319C
• Wikidata: Q72450512
• Mol file: 156185-63-6.mol

Synonyms:156185-63-6;tert-butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate;tert-Butyl 4-(3-hydroxypropyl)tetrahydro-1(2h)-pyridinecarboxylate;3-(1-BOC-4-PIPERIDYL)-1-PROPANOL;1-N-Boc-4-(3'-propanol)-piperdine;Boc-4-Piperidinepropanol;4-(3-Hydroxy-propyl)-piperidine-1-carboxylic acid tert-butyl ester;MFCD02677712;tert-Butyl 4-(3-hydroxypropyl)tetrahydropyridine-1(2H)-carboxylate;4-(3-Hydroxypropyl)piperidine-1-carboxylic acid tert-butyl ester;1-PIPERIDINECARBOXYLIC ACID, 4-(3-HYDROXYPROPYL)-, 1,1-DIMETHYLETHYL ESTER;3-(N-Boc-piperidin-4-yl)propanol;4-(3-Hydroxypropyl)piperidine, n-boc protected;Vanadium(ii)chloride;1-N-boc-4-(3'-propanol)-piperidine;SCHEMBL560636;DTXSID70384182;OXPWHPCCUXESFQ-UHFFFAOYSA-N;BCP18206;CS-D0051;1-N-Boc-4-(3'-propanol)piperidine;AKOS015841208;AB12140;PS-4688;3-(N-Boc-piperidin-4-yl)-propan-1-ol;AM803265;SY018262;1-(tert-butoxycarbonyl)-4-piperidinepropanol;FT-0643530;3-(N-t-butyloxycarbonylpiperidin-4-yl)propanol;3-[N-(t-butoxycarbonyl)piperidin-4-yl]propanol;EN300-1880321;3-(1-tert-butoxycarbonyl-4-piperidyl)-1-propanol;3-[N-(tert-butoxycarbonyl)piperidin-4-yl]propanol;3-(N-t-Butyloxycarbonylpiperidin-4-yl)propan-1-ol;J-524611;tert-butyl 4-(3-hydroxypropyl)-1-piperidinecarboxylate;4-(3-Hydroxypropyl)-1-piperidinecarboxylic acid tert-butyl ester;4-(3-hydroxypropyl)-piperidine-1-carboxylic acid tert-butyl ester;tert-Butyl 4-(3-hydroxypropyl)tetrahydro-1(2H)pyridinecarboxylate;Tert-butyl 4-(3-hydroxypropyl)tetrahydro-1(2H)-pyridinecarboxylate;tert-Butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate

Chemical Property of Tert-butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate

Chemical Property:

• Vapor Pressure: 6E-06mmHg at 25°C
• Refractive Index: 1.478
• Boiling Point: 339.8 °C at 760 mmHg
• PKA: 15.16±0.10(Predicted)
• Flash Point: 159.3 °C
• PSA: 49.77000
• Density: 1.029 g/cm³
• LogP: 2.34390
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 243.18344366
• Heavy Atom Count: 17
• Complexity: 240

Purity/Quality:

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

tert-Butyl4-(3-Hydroxypropyl)piperidine-1-carboxylate ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Tert-butyl 4-(3-hydroxypropyl)piperidine-1-carboxylate

There total 12 articles about Tert-butyl 4-(3-hydroxypropyl)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: 92.0%

3-(piperidin-4-yl)propan-1-ol (7037-49-2) + di-tert-butyl dicarbonate (24424-99-5) → N-Boc-piperidin-4-yl-propanol (156185-63-6)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane;

DOI:10.1021/ol010282n

Reference yield: 82.0%

di-tert-butyl dicarbonate (24424-99-5) + 3-piperidin-4-yl-propan-1-ol acetic acid salt → N-Boc-piperidin-4-yl-propanol (156185-63-6)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; water; for 2h; pH=9;

Reference yield: 73.0%

3-(piperidin-4-yl)propan-1-ol (7037-49-2) + tert-butyldicarbonate (34619-03-9) → N-Boc-piperidin-4-yl-propanol (156185-63-6)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; for 18h;

DOI:10.1021/jm00042a007

upstream raw materials:

3-(piperidin-4-yl)propan-1-ol

tert-butyldicarbonate

di-tert-butyl dicarbonate

4-(3-Hydroxypropyl)pyridine

Downstream raw materials:

methyl 3-(3-(N-Boc-piperidin-4-yl)-propoxy)-phenylacetate

4-(3-Methanesulfonyloxy-propyl)-piperidine-1-carboxylic acid tert-butyl ester

N-(4-(1-((4-chlorophenyl)sulfonyl)piperidin-4-yl)butyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

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

Refernces

• 1、 -. "N-ARYL AND N-HETEROARYL PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR β AGONISTS, COMPOSITIONS, AND THEIR USE". Page/Page column 55. . Retrieved 2018/04/27.
• 2、 Ashford, Mark E.,Nguyen, Vu H.,Greguric, Ivan,Pham, Tien Q.,Keller, Paul A.,Katsifis, Andrew. "Synthesis and in vitro evaluation of tetrahydroisoquinolines with pendent aromatics as sigma-2 (σ2) selective ligands". . p. 783 - 794. Retrieved 2014/01/23.