4-Benzyl 1-tert-butyl 2-(hydroxymethyl)piperazine-1,4-dicarboxylate

Base Information

• Chemical Name: 4-Benzyl 1-tert-butyl 2-(hydroxymethyl)piperazine-1,4-dicarboxylate
• CAS No.: 557056-07-2
• Molecular Formula: C18H26N2O5
• Molecular Weight: 350.40900
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID90593254
• Nikkaji Number: J1.924.531D
• Mol file: 557056-07-2.mol

Synonyms:557056-07-2;4-Benzyl 1-tert-butyl 2-(hydroxymethyl)piperazine-1,4-dicarboxylate;4-CBZ-1-BOC 2-(HYDROXYMETHYL)PIPERAZINE;1-Boc-4-Cbz-2-(hydroxymethyl)piperazine;4-O-benzyl 1-O-tert-butyl 2-(hydroxymethyl)piperazine-1,4-dicarboxylate;4-benzyl 1-(tert-butyl) 2-(hydroxymethyl)piperazine-1,4-dicarboxylate;MFCD17676397;(2S)-2-(Hydroxymethyl)piperazine-1;1,4-Piperazinedicarboxylic acid, 2-(hydroxymethyl)-, 1-(1,1-dimethylethyl) 4-(phenylmethyl) ester;SCHEMBL2420439;DTXSID90593254;OKWDDQLIGHSFEA-UHFFFAOYSA-N;AKOS022173177;SB48342;4-Cbz-1-Boc-2-(Hydroxymethyl)piperazine;AS-36948;DA-04901;SY033262;CS-0137190;A848505;4-Benzyl1-tert-butyl2-(hydroxymethyl)piperazine-1,4-dicarboxylate

Chemical Property of 4-Benzyl 1-tert-butyl 2-(hydroxymethyl)piperazine-1,4-dicarboxylate

Chemical Property:

• Boiling Point: 480.5±30.0 °C(Predicted)
• PKA: 14.97±0.10(Predicted)
• PSA: 79.31000
• Density: 1?+-.0.06 g/cm3(Predicted)
• LogP: 2.11260
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 350.18417193
• Heavy Atom Count: 25
• Complexity: 457

Purity/Quality:

NLT 98% ^*data from raw suppliers

4-Benzyl1-tert-butyl2-(hydroxymethyl)piperazine-1,4-dicarboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1CO)C(=O)OCC2=CC=CC=C2

Technology Process of 4-Benzyl 1-tert-butyl 2-(hydroxymethyl)piperazine-1,4-dicarboxylate

There total 13 articles about 4-Benzyl 1-tert-butyl 2-(hydroxymethyl)piperazine-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: 98.0%

4-benzyl 1-(tert-butyl) 2-methyl piperazine-1,2,4-tricarboxylate (129799-14-0,1313278-42-0) → 4-benzyl 1-(tert-butyl) 2-(hydroxymethyl)piperazine-1,4-dicarboxylate (557056-07-2)

Guidance literature:

4-benzyl 1-(tert-butyl) 2-methyl piperazine-1,2,4-tricarboxylate; With calcium chloride; In tetrahydrofuran; ethanol; at 20 ℃; for 0.333333h;

With sodium tetrahydroborate; ethanol; In tetrahydrofuran; at 0 - 20 ℃; for 12.5h;

Reference yield: 97.0%

(S)-4-benzyl 1-tert-butyl 2-methyl piperazine-1,2,4-tricarboxylate (1313278-42-0) → (S)-4-benzyl 1-tert-butyl 2-(hydroxymethyl)piperazine-1,4-dicarboxylate (385802-84-6,557056-07-2)

Guidance literature:

With lithium borohydride; In tetrahydrofuran; at 20 ℃; for 24h; Cooling with ice;

Reference yield: 90.0%

benzyl (3S)-3-(hydroxymethyl)piperazine-1-carboxylate (930837-02-8,930837-03-9) + di-tert-butyl dicarbonate (24424-99-5) → (S)-4-benzyl 1-tert-butyl 2-(hydroxymethyl)piperazine-1,4-dicarboxylate (385802-84-6,557056-07-2)

Guidance literature:

With sodium carbonate; In tetrahydrofuran; water; at 30 ℃; for 4h;

upstream raw materials:

benzyl chloroformate

4-benzyl 1-(tert-butyl) 2-methyl piperazine-1,2,4-tricarboxylate

1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid

piperazine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester

Refernces

• 1、 -. "Five-membered heteroaromatic derivative, preparation method and application thereof". Paragraph 0751-0755; 0915-0919. . Retrieved 2021/07/08.
• 2、 -. "MORPHOLINYL, PIPERAZINYL, OXAZEPANYL AND DIAZEPANYL O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS". Paragraph 00220. . Retrieved 2020/07/04.