2-Carboxymethyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester

Base Information

• Chemical Name: 2-Carboxymethyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester
• CAS No.: 863307-54-4
• Molecular Formula: C11H18 N2 O5
• Molecular Weight: 258.274
• Hs Code.: 29335990
• DSSTox Substance ID: DTXSID90373210
• Mol file: 863307-54-4.mol

Synonyms:863307-54-4;2-CARBOXYMETHYL-3-OXO-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;2-(1-(tert-Butoxycarbonyl)-3-oxopiperazin-2-yl)acetic acid;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopiperazin-2-yl]acetic acid;(R,S)-4-BOC-3-CARBOXYMETHYL-PIPERAZIN-2-ONE;SCHEMBL4344258;2-(1-(tert-Butoxycarbonyl)-3-oxopiperazin-2-yl)aceticacid;DTXSID90373210;GVTOUAJILWSKTN-UHFFFAOYSA-N;2-Piperazineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-3-oxo-;MFCD06656452;AKOS016008653;4-Boc-3-carboxymethyl-piperazin-2-one;AB25523;AB61596;AB61598;AS-11206;CS-0205136;EN300-194236;H10657;A923307;2-{1-[(tert-butoxy)carbonyl]-3-oxopiperazin-2-yl}acetic acid;(R)-2-CARBOXYMETHYL-3-OXO-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;(S)-2-CARBOXYMETHYL-3-OXO-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;2-Carboxymethyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester, AldrichCPR;1240588-60-6;1240588-66-2

Chemical Property of 2-Carboxymethyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester

Chemical Property:

• PSA: 95.94000
• LogP: 0.46330
• Storage Temp.: 2-8°C
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 258.12157168
• Heavy Atom Count: 18
• Complexity: 361

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Carboxymethyl-3-oxo-piperazine-1-carboxylicacidtert-butylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43-51
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCNC(=O)C1CC(=O)O

Technology Process of 2-Carboxymethyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester

There total 1 articles about 2-Carboxymethyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester 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: 83.0%

t-butyl (RS)-2-ethoxycarbonylmethyl-3-oxo-piperazine-1-carboxylate (168160-77-8) → 2-carboxymethyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester (863307-54-4)

Guidance literature:

2-ethoxycarbonylmethyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester; With methanol; sodium hydroxide; water; at 20 ℃; for 2.5h;

With hydrogenchloride; In methanol; water; pH=~ 2;

Reference yield: 52.0%

2-carboxymethyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester (863307-54-4) + 3-chloro-N-hydroxybenzimidamide (22179-77-7) → 2-[3-(3-chloro-phenyl)-[1,2,4]oxadiazol-5-yl]-3-oxo-piperazine-1-carboxylic acid tert-butyl ester (863307-55-5)

Guidance literature:

2-carboxymethyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester; 3-chloro-N-hydroxybenzimidamide; With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In DMF (N,N-dimethyl-formamide); at 20 ℃;

With N,N-dimethyl-formamide; at 135 ℃; for 4h;

upstream raw materials:

t-butyl (RS)-2-ethoxycarbonylmethyl-3-oxo-piperazine-1-carboxylate

Downstream raw materials:

2-[3-(3-chloro-phenyl)-[1,2,4]oxadiazol-5-yl]-3-oxo-piperazine-1-carboxylic acid tert-butyl ester

Refernces