4-Bromo-2-(pyrrolidin-1-yl)benzaldehyde

Base Information

• Chemical Name: 4-Bromo-2-(pyrrolidin-1-yl)benzaldehyde
• CAS No.: 887235-00-9
• Molecular Formula: C11H12BrNO
• Molecular Weight: 254.126
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40655674
• Wikidata: Q82569890
• Mol file: 887235-00-9.mol

Synonyms:4-Bromo-2-(pyrrolidin-1-yl)benzaldehyde;887235-00-9;4-Bromo-2-pyrrolidinobenzaldehyde;4-bromo-2-pyrrolidin-1-ylbenzaldehyde;SCHEMBL4528462;DTXSID40655674;UZVCTORVMMDVAN-UHFFFAOYSA-N;MFCD11651737;AKOS009392644;BS-23956;4-Bromo-2-(1-pyrrolidinyl)benzaldehyde, AldrichCPR

Chemical Property of 4-Bromo-2-(pyrrolidin-1-yl)benzaldehyde

Chemical Property:

• PSA: 20.31000
• LogP: 2.92680
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 253.01023
• Heavy Atom Count: 14
• Complexity: 204

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-2-pyrrolidinobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C2=C(C=CC(=C2)Br)C=O

Technology Process of 4-Bromo-2-(pyrrolidin-1-yl)benzaldehyde

There total 4 articles about 4-Bromo-2-(pyrrolidin-1-yl)benzaldehyde 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: 52.0%

pyrrolidine (123-75-1) + 4-bromo-2-fluorobenzaldehyde (57848-46-1) → 4-bromo-2-(pyrrolidin-1-yl)benzaldehyde (887235-00-9)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 100 ℃; for 18.5h;

DOI:10.1021/ol300303s

Reference yield:

pyrrolidine (123-75-1) → 4-bromo-2-(pyrrolidin-1-yl)benzaldehyde (887235-00-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 12h; Reflux;

DOI:10.1021/acs.orglett.9b03011

Reference yield:

pyrrolidine (123-75-1) → 4-bromo-2-(pyrrolidin-1-yl)benzaldehyde (887235-00-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 12h; Reflux;

DOI:10.1021/acs.joc.9b02110 DOI:10.1021/acs.joc.9b02606

upstream raw materials:

pyrrolidine

4-bromo-2-fluorobenzaldehyde

Downstream raw materials:

1,1,1,3,3,3-hexafluoropropan-2-yl 4-(4-bromo-2-(pyrrolidin-1-yl)benzyl)piperazine-1-carboxylate

tert-butyl 4-(4-bromo-2-(pyrrolidin-1-yl)benzyl)piperazine-1-carboxylate