METHYL 3-BROMO-4-ISOPROPOXYBENZOATE

Base Information

• Chemical Name: METHYL 3-BROMO-4-ISOPROPOXYBENZOATE
• CAS No.: 213598-10-8
• Molecular Formula: C11H13BrO3
• Molecular Weight: 273.126
• Hs Code.: 2918990090
• Mol file: 213598-10-8.mol

Synonyms:Methyl3-bromo-4-isopropoxybenzoate;

Chemical Property of METHYL 3-BROMO-4-ISOPROPOXYBENZOATE

Chemical Property:

• Boiling Point: 321.561 °C at 760 mmHg
• Flash Point: 148.275 °C
• PSA: 35.53000
• Density: 1.359 g/cm³
• LogP: 3.02290
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

Methyl3-bromo-4-isopropoxybenzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of METHYL 3-BROMO-4-ISOPROPOXYBENZOATE

There total 3 articles about METHYL 3-BROMO-4-ISOPROPOXYBENZOATE 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: 83.0%

methyl 3-bromo-4-hydroxybenzoate (29415-97-2) + isopropyl bromide (75-26-3) → methyl 3-bromo-4-isopropoxybenzoate (213598-10-8)

Guidance literature:

With potassium carbonate; potassium iodide; In DMF (N,N-dimethyl-formamide); at 80 ℃; for 2h;

Reference yield: 80.0%

2-iodo-propane (75-30-9) + methyl 3-bromo-4-hydroxybenzoate (29415-97-2) → methyl 3-bromo-4-isopropoxybenzoate (213598-10-8)

Guidance literature:

With caesium carbonate; In dimethyl sulfoxide; at 80 ℃; for 2h;

DOI:10.1016/j.ejmech.2020.112868

Reference yield:

3-bromo-4-hydroxy-benzoic acid (14348-41-5) → methyl 3-bromo-4-isopropoxybenzoate (213598-10-8)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride / 20 °C

2: potassium carbonate / acetonitrile / Reflux

With hydrogenchloride; potassium carbonate; In acetonitrile;

upstream raw materials:

methyl 3-bromo-4-hydroxybenzoate

isopropyl bromide

2-iodo-propane

3-bromo-4-hydroxy-benzoic acid

Downstream raw materials:

methyl 3-cyano-4-[(1-methylethyl)oxy]benzoate

3-cyano-4-isopropoxybenzoic acid

5-[3-(1H-indazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-[(1-methylethyl)oxy]benzonitrile

ethyl 4-[6-chloro-5-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1H-indazol-1-yl]butanoate

Refernces

• 1、 Chen, Jingjing,Li, Yalei,Zhang, Jie,Zhang, Minmin,Wei, Aihuan,Liu, Hongchun,Xie, Zhicheng,Ren, Wenming,Duan, Wenwen,Zhang, Zhuo,Shen, Aijun,Hu, Youhong. "Discovery of selective HDAC/BRD4 dual inhibitors as epigenetic probes". supporting information. . Retrieved 2020/10/20.
• 2、 -. "OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS". Page/Page column 17. . Retrieved 2012/11/13.