3-(Bromomethyl)biphenyl

Base Information

• Chemical Name: 3-(Bromomethyl)biphenyl
• CAS No.: 14704-31-5
• Molecular Formula: C13H11Br
• Molecular Weight: 247.134
• Hs Code.: 2903999090
• European Community (EC) Number: 629-083-7
• DSSTox Substance ID: DTXSID00397563
• Nikkaji Number: J1.979.900J
• Wikidata: Q72501359
• Mol file: 14704-31-5.mol

Synonyms:3-(Bromomethyl)biphenyl;14704-31-5;3-Phenylbenzyl bromide;3-(BROMOMETHYL)-1,1'-BIPHENYL;1-(bromomethyl)-3-phenylbenzene;3-Bromomethylbiphenyl;1,1'-Biphenyl, 3-(bromomethyl)-;3-phenylbenzylbromide;3-bromomethyl-biphenyl;MFCD03452790;3-(Bromomethyl)-1,1'-biphenyl;3-Bromo methylphenylbenzene;3-phenyl benzylbromide;3-phenyl benzyl bromide;3-phenylphenylmethyl bromide;SCHEMBL120295;3-Phenylbenzyl bromide, 97%;DTXSID00397563;RTFPTPXBTIUISM-UHFFFAOYSA-N;AKOS007930627;AB15479;AC-12328;BP-10389;NS-03592;FT-0616337;(6-CHLORO-3-OXO-2,3-DIHYDRO-4H-1,4-BENZOXAZIN-4-YL)ACETICACID

Chemical Property of 3-(Bromomethyl)biphenyl

Chemical Property:

• Appearance/Colour: off-white to light yellow crystal powder
• Vapor Pressure: 0.000358mmHg at 25°C
• Melting Point: 57-61 °C
• Refractive Index: 1.605
• Boiling Point: 328.6 °C at 760 mmHg
• Flash Point: 158.1 °C
• PSA: 0.00000
• Density: 1.341 g/cm³
• LogP: 4.24850
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform, Methanol
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 246.00441
• Heavy Atom Count: 14
• Complexity: 161

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): C, Xi, N
• Hazard Codes: C,N,Xi
• Statements: 22-34-50/53-36/37/38
• Safety Statements: 26-36/37/39-45-60-61-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC=CC(=C2)CBr
• Uses: 3-Phenylbenzyl bromide may be used in the synthesis of the following amino alcohols:NH-benzyl-(1R,2S)-norephedrineNH-3-phenylbenzyl-(1R,2S)-norephedrine(1R,2S)-2-(benzylamino)-1,2-diphenylethanol

Technology Process of 3-(Bromomethyl)biphenyl

There total 10 articles about 3-(Bromomethyl)biphenyl 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: 90.0%

3-methylbiphenyl (643-93-6) → 3-(bromomethyl)-1,1'-biphenyl (14704-31-5)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; for 6h; Heating;

DOI:10.1016/S0968-0896(97)10009-8

Reference yield: 52.0%

6-phenyl-2-oxatricyclo<2.2.2.03,5>octan-6-ol (103668-94-6) → 3-(bromomethyl)-1,1'-biphenyl (14704-31-5)

Guidance literature:

With dimethylboron bromide; silica gel; triethylamine; In dichloromethane; for 40h; Ambient temperature;

DOI:10.1021/jo00370a024

Reference yield:

3-phenyl-benzyl alcohol (69605-90-9) → 3-(bromomethyl)-1,1'-biphenyl (14704-31-5)

Guidance literature:

In hydrogen bromide;

upstream raw materials:

3-methylbiphenyl

6-phenyl-2-oxatricyclo<2.2.2.0^3,5>octan-6-ol

bromine

phenyllithium

Downstream raw materials:

2-(1-{4-[(biphenyl-3-ylmethyl)-amino]-phenyl}-but-2-ynyl)-malonic acid dimethyl ester

tert-butyl 2-(N-(biphenyl-3-ylmethyl)-2,2-dimethylchroman-6-sulfonamido)acetate

3-phenyl-benzyl alcohol

(R)-2-amino-3-biphenyl-3-ylpropionic acid

Refernces

• 1、 Tanaka, Akira,Terasawa, Takeshi,Hagihara, Hiroyuki,Sakuma, Yuri,Ishibe, Noriko,Sawada, Masae,Takasugi, Hisashi,Tanaka, Hirokazu. "Inhibitors of acyl-CoA:cholesterol O-acetyltransferase (ACAT). Part 1: Identification and structure-activity relationships of a novel series of substituted N-alkyl-N-biphenylmethyl-N'-arylureas". . p. 15 - 30. Retrieved 2007/10/03.
• 2、 -. "Endothelin receptor antagonists". . . Retrieved 2008/06/13.