4-Bromobenzylamine

Base Information

• Chemical Name: 4-Bromobenzylamine
• CAS No.: 3959-07-7
• Molecular Formula: C7H8 Br N
• Molecular Weight: 186.051
• Hs Code.: 29214990
• European Community (EC) Number: 223-559-4
• UNII: ZZB9N2KNT7
• DSSTox Substance ID: DTXSID70192704
• Nikkaji Number: J191K
• Wikidata: Q27464641
• ChEMBL ID: CHEMBL138621
• Mol file: 3959-07-7.mol

Synonyms:4-Bromobenzylamine;3959-07-7;(4-Bromophenyl)methanamine;p-Bromobenzylamine;4-Bromo-benzylamine;Benzenemethanamine, 4-bromo-;1-(4-Bromophenyl)methanamine;MFCD00047931;p-Bromobenzenemethanamine;PZH;4-bromobenzyl amine;4-Bromobenzenemethanamine;ZZB9N2KNT7;4-Bromobenzylamine, 96%;(4-Bromophenyl)methanamine #;SCHEMBL112119;4-Bromobenzylaminehydrochloride;CHEMBL138621;DTXSID70192704;BCP31344;EINECS 223-559-4;CK2418;p-Bromobenzylamine 4-Bromobenzylamine;STL185672;AKOS000128557;AM86931;CS-W007375;GS-3354;AC-25942;BP-10081;A5192;B4713;FT-0617873;FT-0659695;EN300-28537;A19816;AE-562/43286501;J-200169;Q27464641;F0001-1113

Chemical Property of 4-Bromobenzylamine

Chemical Property:

• Appearance/Colour: Colorless to yellow clear liquid
• Melting Point: 25 ºC
• Refractive Index: 1.5855-1.5875
• Boiling Point: 110-112 ºC (30 mmHg)
• PKA: 8.85±0.10(Predicted)
• Flash Point: >110 ºC
• PSA: 26.02000
• Density: 1.473
• LogP: 2.60810
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 184.98401
• Heavy Atom Count: 9
• Complexity: 77

Purity/Quality:

97% ^*data from raw suppliers

4-Bromobenzylamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34-21/22
• Safety Statements: 26-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1CN)Br
• Uses: 4-Bromobenzylamine (p-Bromobenzylamine) may be used to synthesize 7-[(p-bromobenzyl)ureido]-7,8-dihydro-α-bisabolene.It may be used to synthesize the following 4-biphenylmethylamine derivatives:(4′-fluoro-4-biphenyl)methylamine(4′-methoxy-4-biphenyl)methylamine(2′-methoxy-4-biphenyl)methylamine(3′-cyano-4-biphenyl)methylamine

Technology Process of 4-Bromobenzylamine

There total 32 articles about 4-Bromobenzylamine 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: 100.0%

4-bromobenzenecarbonitrile (623-00-7) → 4-Bromobenzylamine (3959-07-7)

Guidance literature:

With Zr₁₂(μ₃-O)₅[(μ₃-O)CoCl]₈[(μ₂-O)₂(μ₃-O)CoCl]₃Li₃(triphenyldicarboxylate)₉; hydrogen; In toluene; at 110 ℃; for 42h; under 30003 Torr; Catalytic behavior; Inert atmosphere; Schlenk technique;

DOI:10.1021/jacs.7b02394

Reference yield: 94.0%

N-(4-bromobenzyl)-2-nitrobenzenesulfonamide → 4-Bromobenzylamine (3959-07-7)

Guidance literature:

With polystyrene-thiophenol; caesium carbonate; triphenylphosphine; In tetrahydrofuran; at 20 ℃; for 24h;

DOI:10.1055/s-2005-921892

Reference yield: 93.0%

2-(4-bromobenzyl)-1H-isoindole-1,3(2H)-dione (153171-22-3) → 4-Bromobenzylamine (3959-07-7)

Guidance literature:

With hydrazine hydrate; In methanol; for 1h; Reflux;

DOI:10.1016/j.bmc.2014.05.001

upstream raw materials:

p-bromobenzamide

4-bromobenzenecarbonitrile

N-(4-bromo-benzyl)-phthalamic acid

1-bromomethyl-4-bromobenzene

Downstream raw materials:

N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide

N-(4-bromo-benzyl)-acetamide

N-(p-Brombenzyl)nogalonamid

2-(4-Bromo-benzylamino)-2-[(Z)-hydroxyimino]-N,N-dimethyl-acetamide

Refernces

Discovery of novel 9H-purin derivatives as dual inhibitors of HDAC1 and CDK2

10.1016/j.bmcl.2019.06.059

The study focuses on the discovery and synthesis of novel 9H-purin derivatives as dual inhibitors of histone deacetylase 1 (HDAC1) and cyclin-dependent kinase 2 (CDK2), aiming to enhance cancer treatment efficacy. The researchers designed a series of purin derivatives that incorporate pharmacophore groups from both HDAC and CDK inhibitors. Among these, the lead compound 6d demonstrated significant inhibitory activity against HDAC1 (IC50 = 5.8 nM) and CDK2 (IC50 = 56 nM), showing promising anti-proliferative effects on various cancer cell lines, particularly HepG2. The study highlights the potential of these dual inhibitors to improve therapeutic strategies for malignancies by targeting both HDACs and CDKs simultaneously.