4-Bromo-2-fluorobenzaldehyde

Base Information

• Chemical Name: 4-Bromo-2-fluorobenzaldehyde
• CAS No.: 57848-46-1
• Molecular Formula: C7H4BrFO
• Molecular Weight: 203.011
• Hs Code.: 29130000
• DSSTox Substance ID: DTXSID70973434
• Nikkaji Number: J813.212G
• Wikidata: Q72455753
• Mol file: 57848-46-1.mol

Synonyms:4-Bromo-2-fluorobenzaldehyde;57848-46-1;2-Fluoro-4-bromobenzaldehyde;benzaldehyde, 4-bromo-2-fluoro-;4-bromo-2-fluoro-benzaldehyde;MFCD00143261;4-Bromo-2-flurobenzaldehyde;SCHEMBL19429;4-bromo-2 fluorobenzaldehyde;2-fluoro-4-bromo-benzaldehyde;4-bromo-2-fluoro benzaldehyde;4-Bromo-2-fluorobenzaldehyde #;UPCARQPLANFGQJ-UHFFFAOYSA-;DTXSID70973434;BCP26813;4-Bromo-2-fluorobenzaldehyde, 96%;AC-433;BBL011909;STK802608;AKOS000120569;CS-W008610;PS-8175;SB12947;BP-12085;SY003684;AM20060031;B2002;FT-0617769;EN300-21017;J-514649;F2190-0592;Z104486154;BENZYL2-ACETAMIDO-4,6-O-BENZYLIDENE-2-DEOXY-BETA-D-GLUCOPYRANOSIDE

Chemical Property of 4-Bromo-2-fluorobenzaldehyde

Chemical Property:

• Appearance/Colour: light yellow to beige crystalline crystals
• Vapor Pressure: 0.036mmHg at 25°C
• Melting Point: 59-64 °C
• Refractive Index: 1.585
• Boiling Point: 241.4 °C at 760 mmHg
• Flash Point: 99.8 °C
• PSA: 17.07000
• Density: 1.67 g/cm³
• LogP: 2.40070
• Storage Temp.: Room temperature.
• Sensitive.: Air Sensitive
• Water Solubility.: INSOLUBLE
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 201.94296
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)F)C=O
• Uses: 4-Bromo-2-fluorobenzaldehyde is used in the synthesis of Nigeglanine hydrobromide. 4-Bromo-2-fluorobenzaldehyde is used in the preparation of nigeglanine hydrobromide. 4-Bromo-2-fluorobenzaldehyde has been used in the preparation of:2-functionalized aromatic monoaldehydes, via reaction with different secondary amines and phenolfluorostilbenesbenzyl amine-based histamine H3 antagonist having serotonin reuptake activity6-bromo-2-(4-bromo-2-fluorophenyl)-2,3-dihydro-4H-chromen-4-one

Technology Process of 4-Bromo-2-fluorobenzaldehyde

There total 10 articles about 4-Bromo-2-fluorobenzaldehyde 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: 92.0%

2,5-dibromofluorobenzene (1435-52-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 4-bromo-2-fluorobenzaldehyde (57848-46-1)

Guidance literature:

2,5-dibromofluorobenzene; With tri-n-butyllithium magnesate complex; In tetrahydrofuran; toluene; at 0 ℃; for 1h;

N,N-dimethyl-formamide; In toluene; at 0 ℃; for 0.5h;

With citric acid; at 20 ℃;

DOI:10.1016/S0040-4039(01)00861-9

Reference yield: 87.0%

4-bromo-2-fluorobenzyl alcohol (188582-62-9) → 4-bromo-2-fluorobenzaldehyde (57848-46-1)

Guidance literature:

With tert.-butylhydroperoxide; tetrabutylammomium bromide; In decane; benzene; at 40 ℃; for 24h; chemoselective reaction; Inert atmosphere; Sealed tube;

DOI:10.1002/adsc.201400100

Reference yield: 82.0%

aqueous sodium hydrogen sulfite + 2,5-dibromofluorobenzene (1435-52-5) + butyl magnesium bromide (693-04-9) → 4-bromo-2-fluorobenzaldehyde (57848-46-1)

Guidance literature:

With n-butyllithium; acetic acid; In tetrahydrofuran; hexane; N,N-dimethyl-formamide; toluene;

upstream raw materials:

2,5-dibromofluorobenzene

N,N-dimethyl-formamide

butyl magnesium bromide

2-fluoro-4-bromotoluene

Downstream raw materials:

4-((5S)-5-((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl)-2-oxo-1,3-oxazolidin-3-yl)-2-fluorobenzaldehyde

tert-butyl (1R)-1-(4-bromo-2-fluorophenyl)ethylcarbamate

tert-butyl (1R)-1-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethylcarbamate

(1R)-(4-bromo-2-fluorophenyl)ethanamine hydrochloride

Refernces

• 1、 Ma, Xinyi,Li, Zhongfeng,Liu, Feijie,Cao, Shengli,Rao, Honghua. "Tetra-n-butylammonium bromide: A simple but efficient organocatalyst for alcohol oxidation under mild conditions". supporting information. p. 1741 - 1746. Retrieved 2014/06/09.
• 2、 -. "HISTONE DEACETYLASE INHIBITORS". . . Retrieved 2012/05/04.