1-tert-Butyl 4-ethyl 4-(iodomethyl)piperidine-1,4-dicarboxylate

Base Information

• Chemical Name: 1-tert-Butyl 4-ethyl 4-(iodomethyl)piperidine-1,4-dicarboxylate
• CAS No.: 213013-98-0
• Molecular Formula: C14H24INO4
• Molecular Weight: 397.253
• Hs Code.: 2933399990
• DSSTox Substance ID: DTXSID10465282
• Wikidata: Q82291106
• Mol file: 213013-98-0.mol

Synonyms:213013-98-0;1-tert-Butyl 4-ethyl 4-(iodomethyl)piperidine-1,4-dicarboxylate;Ethyl 4-(iodomethyl)piperidine-4-carboxylate, N-BOC protected;1-O-tert-butyl 4-O-ethyl 4-(iodomethyl)piperidine-1,4-dicarboxylate;SCHEMBL6188518;DTXSID10465282;FKZDQBQVWKAEHH-UHFFFAOYSA-N;MFCD09952119;AKOS027383095;AB92400;PS-9862;FT-0734265;W-206615;1-tert-Butyl4-ethyl4-(iodomethyl)piperidine-1,4-dicarboxylate;1-(tert-Butyl) 4-ethyl 4-(iodomethyl)piperidine-1,4-dicarboxylate;1-O-tert-butyl 4-O-ethyl 4-(iodomethyl)piperidine-1, 4-dicarboxylate

Chemical Property of 1-tert-Butyl 4-ethyl 4-(iodomethyl)piperidine-1,4-dicarboxylate

Chemical Property:

• PSA: 55.84000
• LogP: 2.93970
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 397.07501
• Heavy Atom Count: 20
• Complexity: 357

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl 4-(iodomethyl)piperidine-4-carboxylate, N-Boc protected ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CI

Technology Process of 1-tert-Butyl 4-ethyl 4-(iodomethyl)piperidine-1,4-dicarboxylate

There total 6 articles about 1-tert-Butyl 4-ethyl 4-(iodomethyl)piperidine-1,4-dicarboxylate 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: 96.8%

diiodomethane (75-11-6) + 1-tert-butyl 4-ethyl piperidine-1,4-dicarboxylate (142851-03-4) → 4-(iodomethyl)piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester (213013-98-0)

Guidance literature:

1-tert-butyl 4-ethyl piperidine-1,4-dicarboxylate; With lithium diisopropyl amide; In tetrahydrofuran; at -40 ℃; for 0.5h;

diiodomethane; In tetrahydrofuran;

DOI:10.1021/jm0500875

Reference yield:

4-carbethoxypiperidine (1126-09-6) → 4-(iodomethyl)piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester (213013-98-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: tetrahydrofuran / 2 h / 20 °C

2.1: LDA / tetrahydrofuran / 3 h / -78 °C

2.2: tetrahydrofuran / 48 h / 20 °C

With lithium diisopropyl amide; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2007.05.022

Reference yield:

piperidine-1,4-dicarboxylic acid 1-tert-butyl 4-ethyl ester + diiodomethane (75-11-6) + lithium diisopropyl amide (4111-54-0) → 4-(iodomethyl)piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester (213013-98-0)

Guidance literature:

In tetrahydrofuran; n-heptane;

upstream raw materials:

diiodomethane

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

4-carbethoxypiperidine

di-tert-butyl dicarbonate

Downstream raw materials:

4-[4-(3,4-dimethyl-phenoxy)-phenylsulfanylmethyl]-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester

4-(4-phenoxy-phenylsulfanylmethyl)-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester

4-(4-hydroxy-phenylsulfanylmethyl)-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester

1-(tert-butyl) 4-ethyl 4-({[4-(2-butynyloxy)phenyl]sulfanyl}methyl)-1,4-piperidinedicarboxylate

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