Tert-butyl 4'-(bromomethyl)biphenyl-2-carboxylate

Base Information

• Chemical Name: Tert-butyl 4'-(bromomethyl)biphenyl-2-carboxylate
• CAS No.: 114772-40-6
• Molecular Formula: C18H19BrO2
• Molecular Weight: 347.252
• Hs Code.: 29163990
• European Community (EC) Number: 442-850-9,920-820-0
• UNII: ME3I28O0TC
• DSSTox Substance ID: DTXSID50150847
• Nikkaji Number: J1.648.379F
• Wikidata: Q27283945
• Mol file: 114772-40-6.mol

Synonyms:114772-40-6;TERT-BUTYL 4'-(BROMOMETHYL)BIPHENYL-2-CARBOXYLATE;2-Boc-4'-(Bromomethyl)biphenyl;Tert-butyl 2-[4-(bromomethyl)phenyl]benzoate;TERT-BUTYL 4'-(BROMOMETHYL)-[1,1'-BIPHENYL]-2-CARBOXYLATE;tert-Butyl 2-(4-bromomethylphenyl)benzoate;1,1-Dimethylethyl 4'-(Bromomethyl)biphenyl-2-carboxylate;4'-(Bromomethyl)biphenyl-2-carboxylic Acid tert-Butyl Ester;MFCD06657561;UNII-ME3I28O0TC;ME3I28O0TC;2'-(tert-Butoxylcarbonyl)biphenyl-4-ylmethyl bromide;2-(4-Bromomethylphenyl)benzoic Acid tert-Butyl Ester;Telmisartan impurity H [EP];1,1-Dimethylethyl Esterbiphenyl;(1,1'-Biphenyl)-2-carboxylic acid, 4'-(bromomethyl)-, 1,1-dimethylethyl ester;EC 442-850-9;C18H19BrO2;SCHEMBL283;2-Boc-4`-(Bromomethyl)biphenyl;DTXSID50150847;YHXCWNQNVMAENQ-UHFFFAOYSA-N;AMY33400;BCP22446;AKOS015895095;AC-8058;CS-W009407;4-bromomethyl-2't-butoxycarbonylbiphenyl;2-t-butoxycarbonyl-4'-bromomethylbiphenyl;4-Bromomethyl-2'-t-butoxycarbonylbiphenyl;DS-12120;SY026715;4-(2-t-butoxycarbonylphenyl)benzyl bromide;4-bromomethyl-2'-tert-butoxycarbonylbiphenyl;FT-0601481;t-butyl 4'-bromomethylbiphenyl-2-carboxylate;t-Butyl-4-bromomethylbiphenyl-2'-carboxylate;TELMISARTAN IMPURITY H [EP IMPURITY];4-[2-(t-butoxycarbonyl)phenyl]benzyl bromide;t-butyl 4'-bromomethyl-biphenyl-2-carboxylate;t-butyl 4'-bromomethylbiphenyl -2-carboxylate;t-Butyl-4'(bromomethyl)biphenyl-2-carboxylate;t-butyl 4'-(bromomethyl)biphenyl-2-carboxylate;tert-butyl 4'-bromomethylbiphenyl-2-carboxylate;tert-butyl-4'-bromomethylbiphenyl-2-carboxylate;t-butyl-4'-(bromomethyl)-biphenyl-2-carboxylate;tert-butyl 4'-bromomethyl-biphenyl-2-carboxylate;tert-Butyl4'-(bromomethyl)biphenyl-2-carboxylate;tert.butyl 4'-bromomethyl-biphenyl-2-carboxylate;(2'-t-butoxycarbonylbiphenyl-4-yl)methyl bromide;4-BROMOMETHYL-2'-t-BUTOXYCARBONYL-BIPHENYL;Tert-Butyl 4-(Bromomethyl)Biphenyl-2-Carboxylate;tert-Butyl 4?-(Bromomethyl)biphenyl-2-carboxylate;J-003131;J-524691;t-butyl 4'-bromomethyl-1,1'-biphenyl-2-carboxylate;Tert-butyl 4/'-(bromomethyl)biphenyl-2-carboxylate;tert-Butyl 4\'-(bromomethyl)biphenyl-2-carboxylate;4'-bromomethylbiphenyl-2-carboxylic acid t-butyl ester;Q27283945;4'-(Bromomethyl)-2-biphenylcarboxylic acid tert-butyl ester;4-bromomethylbiphenyl-2'-carboxylic acid tert-butyl ester;tert-Butyl 4 inverted exclamation mark -(Bromomethyl)biphenyl-2-carboxylate;4'-Bromomethylbiphenyl-2-carboxylic acid tert-butyl ester

Chemical Property of Tert-butyl 4'-(bromomethyl)biphenyl-2-carboxylate

Chemical Property:

• Boiling Point: 436.992 °C at 760 mmHg
• Flash Point: 218.085 °C
• PSA: 26.30000
• Density: 1.278 g/cm³
• LogP: 5.20380
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Soluble in chloroform, ethyl acetate, and DMSO.
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 346.05684
• Heavy Atom Count: 21
• Complexity: 340

Purity/Quality:

99.9% ^*data from raw suppliers

4’-(Bromomethyl)biphenyl-2-carboxylicAcidtert-ButylEster ^*data from reagent suppliers

Safty Information:

• Statements: 43-53
• Safety Statements: 22-24-37-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CBr
• Uses: tert-Butyl 4'-(bromomethyl)biphenyl-2-carboxylate is a biphenyl derivative used in the preparation of angiotensin II receptor antagonists. T017000 1,1-Dimethylethyl Esterbiphenyl is used in the preparation of angiotensin II receptor antagonists.

Technology Process of Tert-butyl 4'-(bromomethyl)biphenyl-2-carboxylate

There total 24 articles about Tert-butyl 4'-(bromomethyl)biphenyl-2-carboxylate 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: 85.0%

tert-butyl 4'-methyl-2-biphenylcarboxylate (114772-36-0) → 4'-bromomethyl-biphenyl-2-carboxylic acid tert-butyl ester (114772-40-6)

Guidance literature:

With azobisisobutyronitrile; sodium acetate; In acetic acid methyl ester; water; isopropyl alcohol; acetone;

Reference yield: 81.9%

biphenyl-2-carboxylic acid tert-butyl ester + formaldehyd (50-00-0,30525-89-4,61233-19-0) → 4'-bromomethyl-biphenyl-2-carboxylic acid tert-butyl ester (114772-40-6)

Guidance literature:

biphenyl-2-carboxylic acid tert-butyl ester; formaldehyd; With zinc dibromide; In dichloromethane; at 30 - 35 ℃; for 0.333333h;

With phosphorus pentabromide; In tetrachloromethane; dichloromethane;

Reference yield:

tert-butyl 2-bromobenzoate (55666-42-7) → 4'-bromomethyl-biphenyl-2-carboxylic acid tert-butyl ester (114772-40-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / tetrakis(triphenylphosphine)palladium, 2M aq. sodium carbonate / toluene; ethanol / 4 h / Heating

2: 82 percent / NBS, AIBN / CCl₄ / 4.5 h / Heating

With N-Bromosuccinimide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; 2,2'-azobis(isobutyronitrile); sodium carbonate; In tetrachloromethane; ethanol; toluene;

DOI:10.1021/jm00033a006

upstream raw materials:

tert-butyl 4'-methyl-2-biphenylcarboxylate

tert-butyl 2-bromobenzoate

4-methylphenylboronic acid

2-bromobenzoic-acid

Downstream raw materials:

1-<<2'-(tert-butoxycarbonyl)biphenyl-4-yl>methyl>-2-butyl-5-(hydroxymethyl)-4-nitroimidazole

2-butyl-3-[[2'-(tert-butyloxycarbonyl)(1,1'-biphenyl)-4-yl]methyl]-2,3-diazaspiro[4.4]nonane-1,4-dione

4'-(Aminomethyl)[1,1'-biphenyl]-2-carboxylic acid,1,1-dimethylethyl ester

4'-(1,3-Dibutyl-5-oxo-1,5-dihydro-[1,2,4]triazol-4-ylmethyl)-biphenyl-2-carboxylic acid tert-butyl ester

Refernces

• 1、 -. "Synthesis method of 4'-halogenated methylbiphenyl-2-formic aid alkyl ester". Paragraph 0056; 0058. . Retrieved 2016/12/01.
• 2、 -. "N-ARYLYLMETHYLINDAZOLE MODULATORS OF PPARG". Page/Page column 78. . Retrieved 2013/06/06.