Ethyl 1-Boc-4-allyl-4-piperidinecarboxylate

Base Information

• Chemical Name: Ethyl 1-Boc-4-allyl-4-piperidinecarboxylate
• CAS No.: 146603-99-8
• Molecular Formula: C16H27 N O4
• Molecular Weight: 297.39
• Hs Code.: 2933399090
• European Community (EC) Number: 693-890-0
• DSSTox Substance ID: DTXSID10584846
• Wikidata: Q82476584
• Mol file: 146603-99-8.mol

Synonyms:146603-99-8;Ethyl 1-Boc-4-allyl-4-piperidinecarboxylate;1-tert-butyl 4-ethyl 4-allylpiperidine-1,4-dicarboxylate;Ethyl N-Boc-4-allylpiperidine-4-carboxylate;1-O-tert-butyl 4-O-ethyl 4-prop-2-enylpiperidine-1,4-dicarboxylate;MFCD09265071;1-tert-butyl 4-ethyl 4-(prop-2-en-1-yl)piperidine-1,4-dicarboxylate;1,4-Piperidinedicarboxylic acid, 4-(2-propen-1-yl)-, 1-(1,1-dimethylethyl) 4-ethyl ester;Ethyl1-boc-4-allyl-4-piperidinecarboxylate;SodiumHexafluoroantimonate(V);SCHEMBL1281827;DTXSID10584846;FOOVEGXEARQUBR-UHFFFAOYSA-N;1-(1,1-Dimethylethyl) 4-ethyl 4-(2-propenyl)-1,4-piperidinedicarboxylate;AKOS015912171;GS-5969;SB43783;1,4-Piperidinedicarboxylicacid, 4-(2-propen-1-yl)-, 1-(1,1-dimethylethyl) 4-ethyl ester;SY002335;EN300-6201448;A884494;Ethyl N-Boc-4-allylpiperidine-4-carboxylate, 90%;J-504011;ethyl 4-allyl-1-(tert-butyloxycarbonyl)piperidine-4-carboxylate;ethyl 4-allyl-1-(tert-butyloxy-carbonyl)piperidine-4-carboxylate;4-allyl piperidine-1,4-dicarboxylic acid-1-tert-butyl ester-4-ethyl ester;4-allyl piperidine-1,4-dicarboxylic acid-1-tert-butylester-4-ethyl ester;4-Allyl-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester;4-allylpiperidine-1,4-dicarboxylicacid-1-tert-butylester-4-ethyl ester;1,4-Piperidinedicarboxylicacid,4-(2-propen-1-yl)-,1-(1,1-dimethylethyl)4-ethyl ester

Chemical Property of Ethyl 1-Boc-4-allyl-4-piperidinecarboxylate

Chemical Property:

• Vapor Pressure: 2.97E-07mmHg at 25°C
• Refractive Index: n20/D 1.4676
• Boiling Point: 130-135℃/1.5mmHg
• PKA: -2.29±0.40(Predicted)
• Flash Point: >110°C
• PSA: 55.84000
• Density: 1.020g/mLat 25℃
• LogP: 3.08080
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 297.19400834
• Heavy Atom Count: 21
• Complexity: 390

Purity/Quality:

97% ^*data from raw suppliers

Ethyl1-Boc-4-allyl-4-piperidinecarboxylate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CC=C
• Uses: Reactant for synthesis of T-type calcium channel antagonists1 Ethyl 1-Boc-4-allyl-4-piperidinecarboxylate is an intermediate used in the synthesis of 2,8-diazaspiro[4.5]decanones as T-type calcium channel antagonists. Reactant for synthesis of T-type calcium channel antagonists

Technology Process of Ethyl 1-Boc-4-allyl-4-piperidinecarboxylate

There total 5 articles about Ethyl 1-Boc-4-allyl-4-piperidinecarboxylate 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: 100.0%

allyl bromide (106-95-6) + 1-tert-butyl 4-ethyl piperidine-1,4-dicarboxylate (142851-03-4) → 1-(1,1-dimethylethyl) 4-ethyl 4-(2-propenyl)-1,4-piperidinedicarboxylate (146603-99-8)

Guidance literature:

1-tert-butyl 4-ethyl piperidine-1,4-dicarboxylate; With potassium hexamethylsilazane; In tetrahydrofuran; at -78 - -65 ℃; for 0.5h;

allyl bromide; In tetrahydrofuran; at -78 ℃; for 1.16667h;

With water; ammonium chloride; In tetrahydrofuran; at 20 ℃;

Reference yield: 100.0%

allyl iodid (556-56-9) + 1-tert-butyl 4-ethyl piperidine-1,4-dicarboxylate (142851-03-4) → 1-(1,1-dimethylethyl) 4-ethyl 4-(2-propenyl)-1,4-piperidinedicarboxylate (146603-99-8)

Guidance literature:

1-tert-butyl 4-ethyl piperidine-1,4-dicarboxylate; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 ℃; for 0.75h;

allyl iodid; With N,N,N,N,N,N-hexamethylphosphoric triamide; In tetrahydrofuran; hexane; at -78 - 0 ℃; for 1h;

Reference yield: 100.0%

1-bromo-4-butene (5162-44-7) + 1-tert-butyl 4-ethyl piperidine-1,4-dicarboxylate (142851-03-4) → 1-(1,1-dimethylethyl) 4-ethyl 4-(2-propenyl)-1,4-piperidinedicarboxylate (146603-99-8)

Guidance literature:

1-tert-butyl 4-ethyl piperidine-1,4-dicarboxylate; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 ℃; for 0.75h;

1-bromo-4-butene; With N,N,N,N,N,N-hexamethylphosphoric triamide; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 1h;

upstream raw materials:

allyl bromide

1-tert-butyl 4-ethyl piperidine-1,4-dicarboxylate

allyl iodid

1-bromo-4-butene

Downstream raw materials:

4-ethoxycarbonyl-4-(2-hydroxyethyl)piperidine-1-carboxylic acid tert-butyl ester

2-oxa-8-aza-spiro[4.5]decan-1-one

1,1-dimethylethyl 1-oxo-2-oxa-8-azaspiro[4,5]decane-8-carboxylate

2-oxa-8-azaspiro[4.5]decane