4-(Bromomethyl)benzaldehyde

Base Information

• Chemical Name: 4-(Bromomethyl)benzaldehyde
• CAS No.: 51359-78-5
• Molecular Formula: C8H7BrO
• Molecular Weight: 199.047
• Hs Code.: 29142990
• European Community (EC) Number: 638-909-5
• DSSTox Substance ID: DTXSID40458703
• Nikkaji Number: J927.854K
• Wikidata: Q82282188
• Mol file: 51359-78-5.mol

Synonyms:4-(bromomethyl)benzaldehyde;51359-78-5;4-Bromomethylbenzaldehyde;Benzaldehyde, 4-(bromomethyl)-;MFCD08271963;4-(bromomethyl)-benzaldehyde;4-Formylbenzyl bromide;4-bromomethyl benzaldehyde;p-(bromomethyl)benzaldehyde;SCHEMBL190098;DTXSID40458703;4-(bromomethyl)benzaldehyde (en);XYPVBKDHERGKJG-UHFFFAOYSA-N;BBL103658;CL9239;STL557468;AKOS006345479;SB13075;AC-25715;AS-46256;SY023703;A7578;AM20040598;FT-0639991;EN300-202820;W-202934;Z1201624503

Chemical Property of 4-(Bromomethyl)benzaldehyde

Chemical Property:

• Vapor Pressure: 0.004mmHg at 25°C
• Melting Point: 99 °C
• Refractive Index: 1.616
• Boiling Point: 277.949 °C at 760 mmHg
• Flash Point: 107.095 °C
• PSA: 17.07000
• Density: 1.524 g/cm³
• LogP: 2.39400
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 197.96803
• Heavy Atom Count: 10
• Complexity: 106

Purity/Quality:

97% ^*data from raw suppliers

4-(Bromomethyl)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CBr)C=O

Technology Process of 4-(Bromomethyl)benzaldehyde

There total 25 articles about 4-(Bromomethyl)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: 100.0%

4-(hydroxymethyl)benzaldehyde diethyl acetal (125734-44-3) → 4-(bromomethyl)benzaldehyde (51359-78-5)

Guidance literature:

With sulfurous dibromide; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1002/ejic.201500116

Reference yield: 90.0%

4-methyl-benzaldehyde (104-87-0) → 4-(bromomethyl)benzaldehyde (51359-78-5)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; for 3h; Reflux;

DOI:10.1080/00304941003699723

Reference yield: 63.0%

4-(bromomethyl)benzyl alcohol (71831-21-5) → 4-(bromomethyl)benzaldehyde (51359-78-5)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; for 64h;

upstream raw materials:

4-(hydroxylmethyl)benzaldehyde

p-bromomethylbenzal bromide

4-cyanobenzyl bromide

4-methyl-benzaldehyde

Downstream raw materials:

4-((1,3-dioxoisoindolin-2-yl)methyl)benzaldehyde

4-(2-Butyl-5-chloro-4-hydroxymethyl-imidazol-1-ylmethyl)-benzaldehyde

1-(4-formylbenzyl)-2-butyl-4-chloro-5-hydroxymethylimidazole

4-(azidomethyl)benzaldehyde

Refernces

• 1、 Cheng, Jingchao,He, Junlin,Ren, Fengxia,Ren, Fengzhi,Shi, Weiguo,Tong, Kun,Yu, Zixing,Zhang, Ruotian,Zhang, Tao,Zhang, Yatong. "Synthesis and evaluation of novel α-aminoamides containing benzoheterocyclic moiety for the treatment of pain". . . Retrieved 2021.
• 2、 Modak, Ritwik,Mondal, Bijnaneswar,Howlader, Prodip,Mukherjee, Partha Sarathi. "Self-Assembly of a "cationic-cage": Via the formation of Ag-carbene bonds followed by imine condensation". . p. 6711 - 6714. Retrieved 2019.
• 3、 Hoffmann, Viktor,Jenny, Nicolas,H?ussinger, Daniel,Neuburger, Markus,Mayor, Marcel. "Rotationally Restricted 1,1′-Bis(phenylethynyl)ferrocene Subunits in Macrocycles". . p. 2187 - 2199. Retrieved 2016.
• 4、 Turan, Ilke Simsek,Yildiz, Deniz,Turksoy, Abdurrahman,Gunaydin, Gurcan,Akkaya, Engin U.. "A Bifunctional Photosensitizer for Enhanced Fractional Photodynamic Therapy: Singlet Oxygen Generation in the Presence and Absence of Light". . p. 2875 - 2878. Retrieved 2016.
• 5、 -. "Amide derivative containing benzoheterocycle structure, and composition and application thereof". . . Retrieved 2020/06/17.