4-Bromomethylbiphenyl

Base Information

• Chemical Name: 4-Bromomethylbiphenyl
• CAS No.: 2567-29-5
• Molecular Formula: C13H11 Br
• Molecular Weight: 247.134
• Hs Code.: 29029090
• European Community (EC) Number: 663-894-7
• NSC Number: 86143
• DSSTox Substance ID: DTXSID40292866
• Nikkaji Number: J856.762J
• Wikidata: Q72446876
• Mol file: 2567-29-5.mol

Synonyms:2567-29-5;4-Bromomethylbiphenyl;4-(bromomethyl)biphenyl;4-(BROMOMETHYL)-1,1'-BIPHENYL;1-(bromomethyl)-4-phenylbenzene;4-Phenylbenzyl Bromide;4-(Bromomethyl)-biphenyl;4-Bromomethyl biphenyl;4-bromomethyl-biphenyl;1,1'-Biphenyl, 4-(bromomethyl)-;4-Biphenylmethylbromide;MFCD00017869;p-phenylbenzyl bromide;Bromoethylbiphenyl;4-BIPHENYLYLMETHYL BROMIDE;NSC86143;4-phenylbenzylbromide;4-biphenylmethyl bromide;4-phenyl benzyl bromide;4-(bromomethyl) biphenyl;SCHEMBL71123;Biphenyl, 4-(bromomethyl)-;HZQLUIZFUXNFHK-UHFFFAOYSA-;DTXSID40292866;HZQLUIZFUXNFHK-UHFFFAOYSA-N;AMY36578;NSC-86143;AKOS008965737;CS-W004095;AC-26946;AS-11566;SY012656;B1847;FT-0634371;EN300-1870216;J-016100;InChI=1/C13H11Br/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2

Chemical Property of 4-Bromomethylbiphenyl

Chemical Property:

• Appearance/Colour: Pale yellow powder
• Vapor Pressure: 0.000266mmHg at 25°C
• Melting Point: 83-86 ºC
• Refractive Index: 1.605
• Boiling Point: 333.4 °C at 760 mmHg
• Flash Point: 161.3 °C
• PSA: 0.00000
• Density: 1.341 g/cm³
• LogP: 4.24850
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: Chloroform, Methanol
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 246.00441
• Heavy Atom Count: 14
• Complexity: 153

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-34
• Safety Statements: 37/39-26-45-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)CBr
• Uses: 4-(Bromomethyl)biphenyl is a biphenyl derivative used in the preparation of various pharmaceutical compounds such as protein tyrosine phosphatase 1B inhibitors. 4-(Bromomethyl)biphenyl is useful as as atom transfer radical polymerization initiator.

Technology Process of 4-Bromomethylbiphenyl

There total 6 articles about 4-Bromomethylbiphenyl 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:

1-bromomethyl-4-bromobenzene (589-15-1) + phenylboronic acid (98-80-6) → 4-benzylbiphenyl (613-42-3) + p-phenylbenzyl bromide (2567-29-5)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; sodium carbonate; In tetrahydrofuran; water; at 60 ℃; for 24h; Inert atmosphere;

DOI:10.1002/aoc.1737

Reference yield:

biphenyl (92-52-4,1594-86-1) → p-phenylbenzyl bromide (2567-29-5) + 4-4'-bis(bromomethyl)biphenyl (20248-86-6)

Guidance literature:

With formaldehyd; hydrogen bromide; at 50 ℃; unter Einleiten von HBr;

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + biphenyl (92-52-4,1594-86-1) + hydrogen bromide (10035-10-6,12258-64-9) → p-phenylbenzyl bromide (2567-29-5) + 4-4'-bis(bromomethyl)biphenyl (20248-86-6)

Guidance literature:

at 50 ℃;

upstream raw materials:

biphenyl

bromocyane

1-([1,1’-biphenyl]-4-yl)-N-benzyl-N-methylmethanamine

(4-ethyl-benzyl)-methyl-(4-phenyl-benzyl)-amine

Downstream raw materials:

4-Methylbiphenyl

3-phenyl-benzyl alcohol

(8s)-8-(4-Biphenylmethyl)-tropiniumbromid

3endo-DL-mandeloyloxy-8syn-methyl-8anti-(4-phenyl-benzyl)-nortropanium; bromide