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

Base Information

• Chemical Name: Tert-butyl 4-(3-hydroxypropyl)piperazine-1-carboxylate
• CAS No.: 132710-90-8
• Molecular Formula: C12H24N2O3
• Molecular Weight: 244.334
• Hs Code.: 2933599090
• European Community (EC) Number: 636-723-9
• DSSTox Substance ID: DTXSID30584565
• Wikidata: Q82476244
• Mol file: 132710-90-8.mol

Synonyms:132710-90-8;1-Boc-4-(3-hydroxypropyl)piperazine;TERT-BUTYL 4-(3-HYDROXYPROPYL)PIPERAZINE-1-CARBOXYLATE;1-Piperazinecarboxylic acid, 4-(3-hydroxypropyl)-, 1,1-dimethylethyl ester;MFCD06798090;4-(2-HYDROXY-PROPYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;SCHEMBL214593;tert-Butyl-4-(3-hydroxypropyl)piperazine-1-carboxylate;DTXSID30584565;LRYRQGKGCIUVON-UHFFFAOYSA-N;AMY35527;AKOS008857305;CS-W012736;GS-5891;SB40810;1-N-Boc-4-(3-Hydroxypropyl)piperazine;AC-14216;SY099191;1-Boc-4-(3-hydroxypropyl)piperazine, 97%;A18160;EN300-749525;1-tert-butoxycarbonyl-4-(3-hydroxypropyl)piperazine;J-006213;t-butyl 4-(3-hydroxypropyl)piperazine-1-carboxylate;1-(3-hydroxypropyl)-4-tert-butyloxycarbonylpiperazine;Z873057548;4-(3-Hydroxy-propyl)-piperazine-1-carboxylic Acid Tert-butyl Ester;4-(3-hydroxypropyl)-piperazine-1-carboxylic acid tert-butyl ester;1-Piperazinecarboxylicacid,4-(3-hydroxypropyl)-,1,1-dimethylethyl ester;4-(2-hydroxypropyl)-1-piperazinecarboxylic acid, 1,1-dimethylethyl ester

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

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 73-77 °C(lit.)
• Refractive Index: 1.491
• Boiling Point: 355.827 °C at 760 mmHg
• PKA: 15.10±0.10(Predicted)
• Flash Point: 168.998 °C
• PSA: 53.01000
• Density: 1.074g/cm³
• LogP: 0.79730
• Storage Temp.: 2-8°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 244.17869263
• Heavy Atom Count: 17
• Complexity: 243

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25-36/37/38
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1)CCCO

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

There total 6 articles about Tert-butyl 4-(3-hydroxypropyl)piperazine-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%

3-(1-piperazinyl)-1-propanol (5317-32-8) + di-tert-butyl dicarbonate (24424-99-5) → 4-(3-hydroxy-propyl)-piperazine-1-carboxylic acid tert-butyl ester (132710-90-8)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃;

Reference yield: 96.0%

allyl alcohol (107-18-6) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → 4-(3-hydroxy-propyl)-piperazine-1-carboxylic acid tert-butyl ester (132710-90-8)

Guidance literature:

With potassium phosphate; [(bis(2-dicyclohexylphosphinoethyl)amine)Fe(CO)Br₂]; sodium triethylborohydride; In cyclohexane; at 80 ℃; for 12h; Inert atmosphere; Sealed tube;

DOI:10.1021/jacs.9b05221

Reference yield: 91.0%

1-t-Butoxycarbonylpiperazine (57260-71-6) + 1-bromo-3-propanol (627-18-9) → 4-(3-hydroxy-propyl)-piperazine-1-carboxylic acid tert-butyl ester (132710-90-8)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; at 20 ℃; for 72h;

upstream raw materials:

1-t-Butoxycarbonylpiperazine

1-bromo-3-propanol

3-(1-piperazinyl)-1-propanol

di-tert-butyl dicarbonate

Downstream raw materials:

tert-butyl 4-[3-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxypropyl]piperazine-1-carboxylate

4-[3-(7-benzyloxy-[1,8]naphthyridin-2-yloxy)-propyl]-piperazine-1-carboxylic acid tert-butyl ester

tert-butyl 4-[3-(4-{4-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl}phenoxy)propyl]piperazine-1-carboxylate

tert-butyl 4-(3-(4-formylphenoxy)propyl)piperazine-1-carboxylate