2-Bromo-5-methylbenzaldehyde

Base Information

• Chemical Name: 2-Bromo-5-methylbenzaldehyde
• CAS No.: 90221-55-9
• Molecular Formula: C8H7BrO
• Molecular Weight: 199.047
• Hs Code.: 2913000090
• European Community (EC) Number: 691-044-5
• DSSTox Substance ID: DTXSID10474354
• Wikidata: Q72446641
• Mol file: 90221-55-9.mol

Synonyms:2-BROMO-5-METHYLBENZALDEHYDE;90221-55-9;MFCD08669550;Benzaldehyde, 2-bromo-5-methyl-;2-bromo-5-methyl-benzaldehyde;SCHEMBL135760;DTXSID10474354;UWGFRLQHWDMILE-UHFFFAOYSA-N;CL8258;AKOS006238806;CS-W004919;GS-3993;2-Bromo-5-methylbenzaldehyde, AldrichCPR;AM804522;SY110421;B5824;FT-0687006;EN300-57063;A860876;Z871833034

Chemical Property of 2-Bromo-5-methylbenzaldehyde

Chemical Property:

• Melting Point: 43 °C
• Boiling Point: 253.2±20.0℃ (760 Torr)
• Flash Point: 89.5±9.1℃
• PSA: 17.07000
• Density: 1.490±0.06 g/cm3 (20 oC 760 Torr)
• LogP: 2.57000
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: soluble in Methanol
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 197.96803
• Heavy Atom Count: 10
• Complexity: 124

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-5-methylbenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)Br)C=O

Technology Process of 2-Bromo-5-methylbenzaldehyde

There total 7 articles about 2-Bromo-5-methylbenzaldehyde 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: 99.0%

2-bromo-N-methoxy-N,5-dimethylbenzamide (1048108-06-0) → 2-bromo-5-methylbenzaldehyde (90221-55-9)

Guidance literature:

2-bromo-N-methoxy-N,5-dimethylbenzamide; With diisobutylaluminium hydride; In tetrahydrofuran; at -78 ℃; for 1h;

With rochelle salt; acetone; In tetrahydrofuran;

Reference yield: 93.0%

2-bromo-5-methylbenzoic acid (6967-82-4) → 2-bromo-5-methylbenzaldehyde (90221-55-9)

Guidance literature:

2-bromo-5-methylbenzoic acid; With sodium tetrahydroborate; In tetrahydrofuran; for 0.25h; Inert atmosphere;

With boron trifluoride diethyl etherate; In tetrahydrofuran; at 60 ℃; for 1h; Inert atmosphere;

With pyridinium chlorochromate; In dichloromethane; at 20 ℃;

DOI:10.1039/c2dt32422a

Reference yield:

?(2-bromo-5-methylphenyl)methanol (727985-37-7) → 2-bromo-5-methylbenzaldehyde (90221-55-9)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1021/ja201249c

upstream raw materials:

2-bromo-N-methoxy-N,5-dimethylbenzamide

2-bromo-5-methylbenzoic acid

?(2-bromo-5-methylphenyl)methanol

3-Methylbenzonitrile

Downstream raw materials:

(E)-1-bromo-2-(phenylethenyl)-4-methylbenzene

2-bromo-5-methyl-1-(methoxymethoxymethyl)benzene

(+)-(1S,3'R,4'S_.6'R)-6'-(2-(tert-butyldiphenylsilyloxy)ethyl)-6-methyl-4'-(triisopropylsilyloxy)-3',4',5',6'-tetrahydrospiro[isochroman-1,2'-pyran]-3'-ol

(+)-(1R,3'R,4'S_.6'R)-6'-(2-(tert-butyldiphenylsilyloxy)ethyl)-6-methyl-4'-(triisopropylsilyloxy)-3',4',5',6'-tetrahydrospiro[isochroman-1,2'-pyran]-3'-ol