4-(4-Methylpiperazine-1-carbonyl)phenylboronic acid

Base Information

• Chemical Name: 4-(4-Methylpiperazine-1-carbonyl)phenylboronic acid
• CAS No.: 374927-12-5
• Molecular Formula: C12H17 B N2 O3
• Molecular Weight: 248.09
• DSSTox Substance ID: DTXSID40514535
• Wikidata: Q82374918
• Mol file: 374927-12-5.mol

Synonyms:374927-12-5;4-(4-methylpiperazine-1-carbonyl)phenylboronic acid;[4-(4-Methylpiperazine-1-carbonyl)phenyl]boronic acid;(4-(4-Methylpiperazine-1-carbonyl)phenyl)boronic acid;SCHEMBL532147;DTXSID40514535;ILNVLRZFTJYYCF-UHFFFAOYSA-N;ZPA92712;Boronic acid, [4-[(4-methyl-1-piperazinyl)carbonyl]phenyl]- (9CI);MFCD18827143;AKOS027322589;WS-02365;D71894;(4-(4-Methylpiperazine-1-carbonyl)phenyl)boronicacid;4-(4-methylpiperazin-1-carbonyl)-phenyl-boronic acid;B-[4-[(4-methyl-1-piperazinyl)carbonyl]phenyl]-Boronic acid

Chemical Property of 4-(4-Methylpiperazine-1-carbonyl)phenylboronic acid

Chemical Property:

• PSA: 64.01000
• LogP: -1.37020
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 248.1332226
• Heavy Atom Count: 18
• Complexity: 285

Purity/Quality:

97% ^*data from raw suppliers

4-(4-Methylpiperazine-1-carbonyl)phenylboronicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(C1=CC=C(C=C1)C(=O)N2CCN(CC2)C)(O)O

Technology Process of 4-(4-Methylpiperazine-1-carbonyl)phenylboronic acid

There total 6 articles about 4-(4-Methylpiperazine-1-carbonyl)phenylboronic acid 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: 54.0%

→ (4-(4-methylpiperazine-1-carbonyl)phenyl)boronic acid (374927-12-5)

Guidance literature:

With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; for 0.75h;

In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; for 18h;

Reference yield: 40.0%

1-methyl-piperazine (109-01-3) + 4-carboxyphenylboronic acid (14047-29-1) → (4-(4-methylpiperazine-1-carbonyl)phenyl)boronic acid (374927-12-5)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate; In N,N-dimethyl-formamide; at 20 ℃; for 14h; Inert atmosphere;

Reference yield:

C18H29BN2O3 → (4-(4-methylpiperazine-1-carbonyl)phenyl)boronic acid (374927-12-5)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; at 20 ℃;

DOI:10.1021/jm201724m

upstream raw materials:

1-methyl-piperazine

4-carboxyphenylboronic acid

4-Bromobenzoic acid

(4-bromophenyl)-(4-methylpiperazin-1-yl)methanone

Downstream raw materials:

5-[4-(4-methylpiperazine-1-carbonyl)-phenyl]-furan-2-carboxylic acid [4-(9-benzenesulfonyl-9H-carbazol-2-yl)-thiazol-2-yl]-amide

{4-[2-amino-3-(2-methoxypyridin-5-yl)pyridin-5-yl]phenyl}(4-methylpiperazin-1-yl)methanone

C₂₁H₂₂N₄O₂

[4-(6-Amino-5-benzothiazol-2-ylpyridin-3-yl)phenyl]-(4-methylpiperazin-1-yl)methanone

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