(S)-1-Boc-2-ethyl-piperazine

Base Information

• Chemical Name: (S)-1-Boc-2-ethyl-piperazine
• CAS No.: 325145-35-5
• Molecular Formula: C11H22N2O2
• Molecular Weight: 214.308
• Hs Code.: 2933599090
• European Community (EC) Number: 688-973-3
• DSSTox Substance ID: DTXSID90590521
• Wikidata: Q72449238
• Mol file: 325145-35-5.mol

Synonyms:325145-35-5;(S)-1-Boc-2-ethyl-piperazine;(S)-1-Boc-2-Ethylpiperazine;(S)-tert-butyl 2-ethylpiperazine-1-carboxylate;(S)-1-N-Boc-2-ethylpiperazine;tert-butyl (2S)-2-ethylpiperazine-1-carboxylate;MFCD07772100;1-PIPERAZINECARBOXYLIC ACID, 2-ETHYL-, 1,1-DIMETHYLETHYL ESTER, (2S)-;(S)-2-ETHYLPIPERAZINE, N1-BOC PROTECTED;SCHEMBL336578;DTXSID90590521;CTCGRXDGXGUOTE-VIFPVBQESA-N;BCP21570;CS-D0655;(2S)-2-ethyl-1-piperazinecarboxylic acid, 1,1-dimethylethyl ester;AKOS005258566;AC-2206;AM81373;(2S)-1-N-BOC-2-ETHYLPIPERAZINE;(R)-1-N-BOC-2-ETHYL PIPERAZINE;DS-13092;(S)-1-Boc-2-ethyl-piperazine, AldrichCPR;(S)-tert-butyl2-ethylpiperazine-1-carboxylate;1-(tert-butoxycarbonyl)-2(S)-ethylpiperazine;A25974;J-502534;(S)-2-ethyl-piperazine-1-carboxylic acid, tert-butyl ester;(S)-1-Boc-2-ethylpiperazine

Chemical Property of (S)-1-Boc-2-ethyl-piperazine

Chemical Property:

• Vapor Pressure: 0.0026mmHg at 25°C
• Refractive Index: 1.457
• Boiling Point: 286.7 °C at 760 mmHg
• PKA: 8.49±0.40(Predicted)
• Flash Point: 127.2 °C
• PSA: 41.57000
• Density: 0.981 g/cm³
• LogP: 1.87200
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 214.168127949
• Heavy Atom Count: 15
• Complexity: 223

Purity/Quality:

99% ^*data from raw suppliers

(S)-1-BOC-2-Ethylpiperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CCC1CNCCN1C(=O)OC(C)(C)C
• Isomeric SMILES: CC[C@H]1CNCCN1C(=O)OC(C)(C)C

Technology Process of (S)-1-Boc-2-ethyl-piperazine

There total 7 articles about (S)-1-Boc-2-ethyl-piperazine 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:

(2S)-2-ethyl-4-(phenylmethyl)-1-piperazinecarboxylic acid, 1,1-dimethylethyl ester (502482-44-2) → (S)-2-ethylpiperazine-1-carboxylic acid tert-butyl ester (325145-35-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 16h;

DOI:10.1021/jm9508090

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → (S)-2-ethylpiperazine-1-carboxylic acid tert-butyl ester (325145-35-5)

Guidance literature:

Multi-step reaction with 2 steps

1: CH₂Cl₂ / 2 h

2: H₂ / 10percent Pd/C / methanol / 16 h

With hydrogen; palladium on activated charcoal; In methanol; dichloromethane;

DOI:10.1021/jm9508090

Reference yield:

(3S)-1-benzyl-3-ethylpiperazine (324750-04-1,347195-55-5) → (S)-2-ethylpiperazine-1-carboxylic acid tert-butyl ester (325145-35-5)

Guidance literature:

Multi-step reaction with 2 steps

1: CH₂Cl₂ / 2 h

2: H₂ / 10percent Pd/C / methanol / 16 h

With hydrogen; palladium on activated charcoal; In methanol; dichloromethane;

DOI:10.1021/jm9508090

upstream raw materials:

(2S)-2-ethyl-4-(phenylmethyl)-1-piperazinecarboxylic acid, 1,1-dimethylethyl ester

di-tert-butyl dicarbonate

(3S)-1-benzyl-3-ethylpiperazine

(3S)-3-ethyl-1-(phenylmethyl)-2,5-piperazinedione

Downstream raw materials:

(2S)-4-[[5-chloro-2-[2-(1,1-dimethylethoxy)-2-oxoethoxy]phenyl]methyl]-2-ethyl-1-piperazinecarboxylic acid, 1,1-dimethylethyl ester

2-(S)-ethylpiperazine dihydrochloride

(S)-tert-butyl 2-ethyl-4-(4-(4-fluorophenyl)phthalazin-1-yl)piperazine-1-carboxylate