Tert-butyl 4-methyl-3-oxopiperazine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 4-methyl-3-oxopiperazine-1-carboxylate
• CAS No.: 109384-26-1
• Molecular Formula: C10H18N2O3
• Molecular Weight: 214.265
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID90596225
• Wikidata: Q82491431
• Mol file: 109384-26-1.mol

Synonyms:TERT-BUTYL 4-METHYL-3-OXOPIPERAZINE-1-CARBOXYLATE;109384-26-1;Tert-butyl 4-methyl-3-oxopiperazine-1-carboxylate ,98%;Tert-butyl 4-methyl-3-oxopiperazine-1-carboxylate ,98per cent;1-tert-butoxycarbonyl-4-methyl-3-oxopiperazine;SCHEMBL1968373;DTXSID90596225;SLWXQUHGEUNYSN-UHFFFAOYSA-N;2-Methyl-2-propanyl 4-methyl-3-oxo-1-piperazinecarboxylate;AMY39864;TERT-BUTYL 4-METHYL-3-OXOPIPERAZINE-1-CARBOXYLATE 98%;MFCD10574956;AKOS014313594;AS-47102;DB-361704;1-methyl-2-oxo-4-t-butoxycarbonylpiperazine;CS-0101090;1-tert-Butoxycabonyl-4-methyl-3-oxopiperazine;F12045;4-Methyl-3-oxopiperazine-1-carboxylic acid tert-butyl ester

Chemical Property of Tert-butyl 4-methyl-3-oxopiperazine-1-carboxylate

Chemical Property:

• PSA: 49.85000
• LogP: 0.57130
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 214.13174244
• Heavy Atom Count: 15
• Complexity: 270

Purity/Quality:

98%min ^*data from raw suppliers

1-Boc-4-methyl-3-oxopiperazine 98% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCN(C(=O)C1)C

Technology Process of Tert-butyl 4-methyl-3-oxopiperazine-1-carboxylate

There total 7 articles about Tert-butyl 4-methyl-3-oxopiperazine-1-carboxylate 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: 95.0%

methyl iodide (74-88-4) → 1-tert-butoxycarbonyl-4-methyl-3-oxopiperazine (109384-26-1)

Guidance literature:

4-(t-butyloxycarbonyl)piperazin-2-one; With sodium hydride; In DMF (N,N-dimethyl-formamide); at 0 ℃; for 0.166667h;

methyl iodide; In DMF (N,N-dimethyl-formamide); at 20 ℃; for 20h;

Reference yield: 86.0%

→ 1-tert-butoxycarbonyl-4-methyl-3-oxopiperazine (109384-26-1)

Guidance literature:

Reference yield: 73.2%

4-(t-butyloxycarbonyl)piperazin-2-one (76003-29-7) + methyl iodide (74-88-4) → 1-tert-butoxycarbonyl-4-methyl-3-oxopiperazine (109384-26-1)

Guidance literature:

4-(t-butyloxycarbonyl)piperazin-2-one; With sodium hydride; In N,N-dimethyl-formamide; for 1h; Inert atmosphere;

methyl iodide; In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere;

upstream raw materials:

methyl iodide

4-(t-butyloxycarbonyl)piperazin-2-one

2-Ketopiperazine

di-tert-butyl dicarbonate

Downstream raw materials:

4-methyl-3-oxopiperazin-1-ium monotrifluoroacetate

1-methylpiperazin-2-one hydrochloride

C₃₃H₃₉F₂N₃O₄

1-methylpiperazin-2-one

Refernces

• 1、 -. "Containing piperazinone quinazoline ketone PARP - 1/2 inhibitor and its preparation method, pharmaceutical composition and use thereof (by machine translation)". Paragraph 0160-0164. . Retrieved 2017/09/08.
• 2、 Kim, Heung Jae,Kwak, Woo Young,Min, Jong Pil,Lee, Jae Young,Yoon, Tae Hyun,Kim, Ha Dong,Shin, Chang Yell,Kim, Mi Kyung,Choi, Song Hyen,Kim, Hae Sun,Yang, Eun Kyoung,Cheong, Ye Hwang,Chae, Yu Na,Park, Kyung Jin,Jang, Ji Myun,Choi, Soo Jung,Son, Moon Ho,Kim, Soon Hoe,Yoo, Moohi,Lee, Bong Jin. "Discovery of DA-1229: A potent, long acting dipeptidyl peptidase-4 inhibitor for the treatment of type 2 diabetes". scheme or table. p. 3809 - 3812. Retrieved 2011/07/31.