3-溴-5-碘-2-甲基苯甲酸

Base Information

• Chemical Name: 3-溴-5-碘-2-甲基苯甲酸
• CAS No.: 1022983-50-1
• Molecular Formula: C8H6BrIO2
• Molecular Weight: 340.943
• Mol file: 1022983-50-1.mol

Synonyms:QC-3676;RW4028;3-bromo-5-iodo-2-methyl-benzoic acid;

Chemical Property of 3-溴-5-碘-2-甲基苯甲酸

Chemical Property:

• PSA: 37.30000
• LogP: 3.06030

Purity/Quality:

99% ^*data from raw suppliers

3-Bromo-5-iodo-2-methylbenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-溴-5-碘-2-甲基苯甲酸

There total 1 articles about 3-溴-5-碘-2-甲基苯甲酸 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: 62.0%

3-bromo-2-methylbenzoic acid (76006-33-2) → 3-bromo-5-iodo-2-methyl-benzoic acid (1022983-50-1)

Guidance literature:

With N-iodo-succinimide; sulfuric acid; In water; at 0 - 20 ℃; Acidic aqueous solution; Cooling with ice;

Reference yield:

3-bromo-5-iodo-2-methyl-benzoic acid (1022983-50-1) → 3-bromo-5-iodo-2-methyl-benzoic acid chloride

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; for 1h; Heating / reflux; Neat (no solvent);

Reference yield:

3-bromo-5-iodo-2-methyl-benzoic acid (1022983-50-1) → 3-(4-ethylbenzyl)-1-hydroxy-2-methyl-5-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranos-1-yl)-benzene (1050201-06-3)

Guidance literature:

Multi-step reaction with 7 steps

1.1: thionyl chloride / N,N-dimethyl-formamide / 1 h / Heating / reflux

2.1: aluminum (III) chloride / dichloromethane / 2 h / 0 - 20 °C

3.1: triethylsilane; boron trifluoride diethyl etherate / dichloromethane; acetonitrile / 14.05 h / 0 - 20 °C

4.1: TurboGrignard / tetrahydrofuran / 1 h / -60 - -20 °C

4.2: 6 h / -20 - -5 °C

4.3: 6 h / 40 °C

5.1: triethylsilane; boron trifluoride diethyl etherate / dichloromethane; acetonitrile / 0.5 h / -15 - 0 °C

5.2: 1 h / 0 - 20 °C

6.1: 1,1'-bis-(diphenylphosphino)ferrocene; potassium acetate / (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride / 1,4-dioxane; dichloromethane / 32 h / 100 °C

7.1: dihydrogen peroxide; acetic acid / water / 3 h

With triethylsilane; aluminum (III) chloride; 1,1'-bis-(diphenylphosphino)ferrocene; TurboGrignard; thionyl chloride; boron trifluoride diethyl etherate; dihydrogen peroxide; potassium acetate; acetic acid; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; N,N-dimethyl-formamide; In tetrahydrofuran; 1,4-dioxane; dichloromethane; water; acetonitrile;

upstream raw materials:

3-bromo-2-methylbenzoic acid

Downstream raw materials:

3-bromo-5-(4-ethyl-benzyl)-1-iodo-4-methyl-benzene

(3-bromo-5-iodo-2-methyl-phenyl)-(4-ethyl-phenyl)-methanone

1-bromo-3-(4-ethylbenzyl)-2-methyl-5-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranos-1-yl)-benzene

1-bromo-3-(4-ethylbenzyl)-5-(1-methoxy-D-glucopyranos-1-yl)-2-methyl-benzene

Refernces

• 1、 -. "TETRASUBSTITUTED GLUCOPYRANOSYLATED BENZENE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE". Page/Page column 33. . Retrieved 2008/12/08.