2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)acetic acid

Base Information

• Chemical Name: 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)acetic acid
• CAS No.: 156478-71-6
• Molecular Formula: C11H20N2O4
• Molecular Weight: 244.291
• Hs Code.: 2933599090
• European Community (EC) Number: 673-817-9
• DSSTox Substance ID: DTXSID60370852
• Mol file: 156478-71-6.mol

Synonyms:156478-71-6;4-Boc-1-piperazineacetic acid;2-(4-(tert-butoxycarbonyl)piperazin-1-yl)acetic acid;1-BOC-4-CARBOXYMETHYL PIPERAZINE;[4-(tert-butoxycarbonyl)piperazin-1-yl]acetic acid;1-PIPERAZINEACETIC ACID, 4-[(1,1-DIMETHYLETHOXY)CARBONYL]-;MFCD02682402;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic Acid;2-(1-Boc-piperazin-4-yl)-acetic acid;[1-(tert-Butoxycarbonyl)piperazin-4-yl]acetic acid;4-Boc-piperazineacetic Acid;2-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}acetic acid;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]acetate;2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)acetic acid(Chunks or pellets);2-[4-(tert-butoxycarbonyl)piperazin-1-yl]acetic acid;Boc-(4-carboxymethyl)piperazine;4-carboxymethyl-piperazine-1-carboxylic acid tert-butyl ester;2-(4-BOC-1-PIPERAZINYL)ACETIC ACID;SCHEMBL578032;DTXSID60370852;WZBHMXRBXXCEDD-UHFFFAOYSA-N;BCP26627;CS-M0036;AKOS005145674;1-BOC-4-CARBOXYMETHYLPIPERAZINE;AB12236;AC-26793;AS-11518;SY007105;1-t-butoxycarbonyl-4-carboxymethylpiperazine;AM20080409;FT-0648141;EN300-49679;[4-(tert-butoxycarbonyl)-1-piperazinyl]acetic acid;tert-butyl 4-carboxymethyl-piperazine-1-carboxylate;W-205802;Z425869472;1-Piperazineacetic acid,4-[(1,1-diMethylethoxy)carbonyl]-;2-(4-Boc-1-piperazinyl)acetic acid, >=96.0% (HPLC);2-(1-TERT-BUTOXYCARBONYL-PIPERAZIN-4-YL)-ACETIC ACID;4-carboxymethyl-piperazine-1 carboxylic acid tert-butyl ester;2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)acetic acid

Chemical Property of 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)acetic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.501
• Boiling Point: 365.505 °C at 760 mmHg
• PKA: 2.40±0.10(Predicted)
• Flash Point: 174.851 °C
• PSA: 70.08000
• Density: 1.175 g/cm³
• LogP: 0.49950
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: -1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 244.14230712
• Heavy Atom Count: 17
• Complexity: 290

Purity/Quality:

99% ^*data from raw suppliers

1-Boc-4-carboxymethyl piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)acetic acid

There total 4 articles about 2-(4-(Tert-butoxycarbonyl)piperazin-1-yl)acetic acid 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: 76.0%

tert-butyl 4-(2-ethoxy-2-oxoethyl)piperazine-1-carboxylic acid (209667-59-4) → 4-[(1,1-Dimethylethoxy)carbonyl]-1-piperazineacetic acid (156478-71-6)

Guidance literature:

With sodium hydroxide; In methanol; water; at 20 ℃; for 2h;

Reference yield:

potassium hydrogensulfate (7646-93-7) + tert-butyl 4-(2-ethoxy-2-oxoethyl)piperazine-1-carboxylic acid (209667-59-4) → 4-[(1,1-Dimethylethoxy)carbonyl]-1-piperazineacetic acid (156478-71-6)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; chloroform; water; ethyl acetate;

Reference yield:

1-t-Butoxycarbonylpiperazine (57260-71-6) → 4-[(1,1-Dimethylethoxy)carbonyl]-1-piperazineacetic acid (156478-71-6)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / tetrahydrofuran / 16 h / 20 °C

2: sodium hydroxide; water / methanol / 16 h / 20 °C

With water; potassium carbonate; sodium hydroxide; In tetrahydrofuran; methanol;

upstream raw materials:

tert-butyl 4-(2-ethoxy-2-oxoethyl)piperazine-1-carboxylic acid

potassium hydrogensulfate

1-t-Butoxycarbonylpiperazine

Downstream raw materials:

2-(4-acetylpiperazin-1-yl)acetic acid

2-(piperazin-1-yl)acetic acid

Refernces

• 1、 -. "PROTEIN KINASE INHIBITORS". Paragraph 0169. . Retrieved 2015/02/18.
• 2、 -. "NITROHETEROARYL-CONTAINING RIFAMYCIN DERIVATIVES". Page/Page column 60. . Retrieved 2010/11/29.