1-Tert-butyl 3-methyl piperazine-1,3-dicarboxylate

Base Information

• Chemical Name: 1-Tert-butyl 3-methyl piperazine-1,3-dicarboxylate
• CAS No.: 129799-08-2
• Molecular Formula: C11H20N2O4
• Molecular Weight: 244.291
• Hs Code.: 2933599590
• European Community (EC) Number: 672-492-0
• DSSTox Substance ID: DTXSID80373562
• Mol file: 129799-08-2.mol

Synonyms:129799-08-2;Methyl 4-Boc-piperazine-2-carboxylate;1-tert-butyl 3-methyl piperazine-1,3-dicarboxylate;N-4-Boc-2-piperazinecarboxylic acid methyl ester;1-N-BOC-PIPERAZINE-3-CARBOXYLIC ACID METHYL ESTER;1,3-Piperazinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-methyl ester;1-O-tert-butyl 3-O-methyl piperazine-1,3-dicarboxylate;MFCD01632465;Piperazine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester;(r)-1-n-boc-piperazine-3-carboxylic acid methyl ester;1-tert-butyl 3-methyl 1,3-piperazinedicarboxylate;Tert-butyl Methyl Piperazine-1,3-dicarboxylate;(R)-1-N-BOC-3-PIPERAZINECARBOXYLIC ACID METHYL ESTER;SCHEMBL1350453;DTXSID80373562;QUKAHFCVKNRRBU-UHFFFAOYSA-N;BCP00513;BCP14094;CS-D0654;AKOS005258555;methyl-4-Boc-piperazine-2-carboxylate;AC-2204;PB10296;PB24856;SB12560;DS-11035;SY018041;SY018052;SY018053;AM20080208;FT-0601734;FT-0601735;FT-0601736;A12987;EN300-316620;Methyl (+/-)-4-N-Boc-2-piperazinecarboxylate;Methyl 4-Boc-piperazine-2-carboxylate, AldrichCPR;methyl 4-tert-butoxycarbonylpiperazine-2-carboxylate;Q-102940;1-(tert-butyl) 3-methyl piperazine-1,3-dicarboxylate;Piperazine-1,3-dicarboxylic acid 1-tert-butyl 3-methyl ester;1-N-Boc-Piperazine-3-carboxylic acid methyl ester;1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate

Chemical Property of 1-Tert-butyl 3-methyl piperazine-1,3-dicarboxylate

Chemical Property:

• Vapor Pressure: 0.000301mmHg at 25°C
• Boiling Point: 321.3 °C at 760 mmHg
• PKA: 6.45±0.40(Predicted)
• Flash Point: 148.1 °C
• PSA: 67.87000
• Density: 1.118 g/cm³
• LogP: 0.63500
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility.: Soluble in dimethyl sulfoxide.
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 244.14230712
• Heavy Atom Count: 17
• Complexity: 298

Purity/Quality:

99% ^*data from raw suppliers

1-tert-Butyl3-MethylPiperazine-1,3-dicarboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: R36/37/38:
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCNC(C1)C(=O)OC
• Uses: It is used as pharmaceutical intermediate.

Technology Process of 1-Tert-butyl 3-methyl piperazine-1,3-dicarboxylate

There total 12 articles about 1-Tert-butyl 3-methyl piperazine-1,3-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: 99.0%

di-tert-butyl dicarbonate (24424-99-5) + 2-methoxycarbonyltetrahydropyrazine (2758-98-7) → tert-butyl methyl piperazine-1,3-dicarboxylate (129799-08-2)

Guidance literature:

With triethylamine; In methanol; at 25 ℃; for 12h;

Reference yield: 95.0%

piperazine-1,2,4-tricarboxylic acid 1-benzyl ester 4-tert-butyl ester 2-methyl ester (126937-42-6,1211399-66-4) → tert-butyl methyl piperazine-1,3-dicarboxylate (129799-08-2)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; at 20 ℃; for 3h;

Reference yield: 85.2%

methanol (67-56-1) + N,N'-di-tert-butyloxycarbonylpiperazine-2-carboxylic acid (181955-79-3) → tert-butyl methyl piperazine-1,3-dicarboxylate (129799-08-2)

Guidance literature:

N,N'-di-tert-butyloxycarbonylpiperazine-2-carboxylic acid; With pyridine; oxalyl dichloride; In tetrahydrofuran; at 10 - 30 ℃;

methanol; In tetrahydrofuran; at 40 - 50 ℃; Reagent/catalyst;

upstream raw materials:

2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile

2-methoxycarbonyltetrahydropyrazine

piperazine-1,3-dicarboxylic acid 1-tert-butyl ester

methyl iodide

Downstream raw materials:

1-(1,1-dimethylethyl) 3-methyl 4-(3-chlorophenyl)piperazine-1,3-dicarboxylate

1-[(3-methoxy-4-tert-butylphenyl)carbonyl]-piperazine-2,4-dicarboxylic acid 2-methyl ester 4-tert-butyl ester