(R)-1-Boc-3-methylpiperazine

Base Information

• Chemical Name: (R)-1-Boc-3-methylpiperazine
• CAS No.: 163765-44-4
• Molecular Formula: C10H20N2O2
• Molecular Weight: 200.281
• Hs Code.: 29335990
• European Community (EC) Number: 627-658-7
• DSSTox Substance ID: DTXSID70373556
• Nikkaji Number: J2.822.173H
• Wikidata: Q72450018
• Mol file: 163765-44-4.mol

Synonyms:163765-44-4;(R)-1-Boc-3-methylpiperazine;(R)-4-Boc-2-methylpiperazine;tert-butyl (3R)-3-methylpiperazine-1-carboxylate;(R)-4-N-Boc-2-methylpiperazine;(r)-tert-butyl 3-methylpiperazine-1-carboxylate;(r)-4-n-boc-2-methyl-piperazine;(r)-1-boc-3-methyl-piperazine;(R)-4-Boc-2-methyl piperazine;tert-Butyl (R)-3-methyl-1-piperazinecarboxylate;1-PIPERAZINECARBOXYLIC ACID, 3-METHYL-, 1,1-DIMETHYLETHYL ESTER, (3R)-;(r)-3-methyl-piperazine-1-carboxylic acid tert-butyl ester;MFCD02683205;TERT-BUTYL (R)-3-METHYLPIPERAZINE-1-CARBOXYLATE;SCHEMBL105348;1-BOC-3-(R)-methylpiperazine;(3r)-1-boc-3-methylpiperazine;DTXSID70373556;FMLPQHJYUZTHQS-MRVPVSSYSA-N;(R)-N'-Boc-2-methyl-piperazine;4-n-boc-2-(r)-methyl-piperazine;BCP13733;BBL100435;STL554229;AKOS005254353;AKOS006341991;(R)-1-Boc-3-methylpiperazine, 97%;CS-W008924;AS-37118;BP-10482;A3638;AM20080459;(r)-1-tert-butoxycarbonyl-3-methylpiperazine;(3R)-1-tert-Butoxycarbonyl-3-methylpiperazine;EN300-108378;(R)-1-(tert-butoxycarbonyl)-3-methylpiperazine;(R)-1-Boc-3-methylpiperazine, >=99.0% (GC);(R)-tert-butyl 3-methyl-piperazine-1-carboxylate;tert-butyl (3r)-3-methyl-1-piperazinecarboxylate;W-205928;(3R)-1-(tert-Butoxycarbonyl)-3beta-methylpiperazine;1,1-dimethylethyl (3R)-3-methyl-1-piperazinecarboxylate;1,1-dimethylethyl(3r)-3-methyl-1-piperazinecarboxylate;F0001-2368;(3R)-3-methylpiperazine-1-carboxylic acid tert-butyl ester;(R)-3-methylpiperazine-1-carboxylic acid, tert-butyl ester;2-Methyl-2-propanyl (3R)-3-methyl-1-piperazinecarboxylate;3-(R)-methyl-piperazine-1-carboxylic acid tert-butyl ester;3-(R)Methyl-piperazine-1-carboxylic acid tert-butyl ester;(R)-3-Methyl-1-piperazinecarboxylic Acid, 1,1-Dimethylethyl Ester

Chemical Property of (R)-1-Boc-3-methylpiperazine

Chemical Property:

• Melting Point: 40-45 °C
• Boiling Point: 268.7 °C at 760 mmHg
• PKA: 8.52±0.40(Predicted)
• Flash Point: 116.3 °C
• PSA: 41.57000
• Density: 0.997 g/cm³
• LogP: 1.48190
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 200.152477885
• Heavy Atom Count: 14
• Complexity: 211

Purity/Quality:

99% ^*data from raw suppliers

(R)-4-Boc-2-methylpiperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 37/38-41-36/37/38
• Safety Statements: 26-39-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN(CCN1)C(=O)OC(C)(C)C
• Isomeric SMILES: C[C@@H]1CN(CCN1)C(=O)OC(C)(C)C
• Uses: (R)-4-Boc-2-methylpiperazine is a reagent used in organic synthesis. Used in the synthesis of orally bioavailable inhibitors of 11-β-hydroxysteroid

Technology Process of (R)-1-Boc-3-methylpiperazine

There total 5 articles about (R)-1-Boc-3-methylpiperazine 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: 96.0%

(2R)-methylpiperazine (75336-86-6) → (R)-tert-butyl 3-methylpiperazine-1-carboxylate (163765-44-4)

Guidance literature:

Reference yield: 84.0%

di-tert-butyl dicarbonate (24424-99-5) + (2R)-methylpiperazine (75336-86-6) → (R)-tert-butyl 3-methylpiperazine-1-carboxylate (163765-44-4)

Guidance literature:

In dichloromethane; at 0 - 20 ℃; for 4h;

Reference yield: 35.0%

C15H20O2 + 3-methyl-piperazine-1-carboxylic acid tert-butyl ester (120737-59-9) → tert-butyl (3S)-4-(3-mesitylpropanoyl)-3-methylpiperazine-1-carboxylate (1394957-82-4) + tert-butyl (3R)-4-(3-mesitylpropanoyl)-3-methylpiperazine-1-carboxylate + (R)-tert-butyl 3-methylpiperazine-1-carboxylate (163765-44-4)

Guidance literature:

With 2-(2,4,6-trimethyl-phenyl)-2,5,6,7-tetrahydro-pyrrolo[2,1-c] [1,2,4]triazol-4-ylium perchlorate; (4aR,9aS)-6-bromo-4-hydroxy-4,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3(2H)-one; potassium carbonate; In Isopropyl acetate; at 23 ℃; for 24h; Resolution of racemate;

DOI:10.1039/c2cc34907h

upstream raw materials:

(2R)-methylpiperazine

di-tert-butyl dicarbonate

2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile

3-methyl-piperazine-1-carboxylic acid tert-butyl ester

Downstream raw materials:

(R)-4-{(S)-1-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-ethyl}-3-methyl-piperazine-1-carboxylic acid tert-butyl ester

C₂₅H₃₂FN₃O₃

C₁₆H₂₃ClN₄O₄

(R)-1-methanesulfonyl-2-methyl-piperazine

Refernces

• 1、 -. "Preparation method of novel anti-cancer drug AZD3759". Paragraph 0073; 0076; 0083; 0086. . Retrieved 2020/09/30.
• 2、 -. "Novel method of synthetic process of lung cancer targeted compound AZD-3759". Paragraph 0034; 0039; 0044; 0051; 0064. . Retrieved 2019/04/09.