129976-32-5

Basic information

• Product Name: 1-bromo-3-isopropyl-2-hydroxybenzene
• Synonyms: 1-bromo-3-isopropyl-2-hydroxybenzene
• CAS NO: 129976-32-5
• Molecular Weight: 215.09
• Mol File: 129976-32-5.mol
• Article Data: 17

Chemical Properties

• CAS DataBase Reference: 1-bromo-3-isopropyl-2-hydroxybenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-bromo-3-isopropyl-2-hydroxybenzene(129976-32-5)
• EPA Substance Registry System: 1-bromo-3-isopropyl-2-hydroxybenzene(129976-32-5)

Safety Data

• Hazardous Substances Data: 129976-32-5(Hazardous Substances Data)

Usage

Physical state

Colorless to pale yellow liquid

Solubility

Insoluble in water, soluble in organic solvents

Uses

Intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds

Applications

Building block in the production of fragrances, flavors, and specialty chemicals

Hazardous nature

Classified as a hazardous substance

Safety precautions

Must be handled and stored with proper care, following all safety protocols and guidelines

Upstream product

• 88-69-7 2-(1-methylethyl)phenol 
• 26307-50-6 4-bromo-2-isopropyl-phenol 
• 499235-21-1 1-Bromo-3-isopropyl-2-[(2-methoxyethoxy)methoxy]benzene 

Downstream Products

• 1158430-72-8 C₂₁H₂₃BBrOP 
• 1204394-60-4 (3aR,8aR)-4,4,8,8-tetrakis(3,5-dimethylphenyl)-6-(2-(diphenylphosphino)-6-isopropylphenoxy)-2,2-dimethyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepine 
• 1158430-44-4 (3aR,8aR)-6-(2-(diphenylphosphanyl)-6-isopropylphenoxy)-2,2-dimethyl-4,4,8,8-tetraphenyltetrahydro[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepine 
• 1158430-30-8 2-boranatodiphenylphosphanyl-6-isopropylphenol 
• 1395499-05-4 2-bromo-6-isopropyl-4-(2,2,2-trifluoro-1-hydroxy-ethyl)-phenol 
• 1395499-10-1 2-iso-propyl-4-(2,2,2-trifluoro-1-hydroxy-ethyl)-phenol 
• 1313182-92-1 2-bromo-6-isopropylphenyl trimethylsilyl ether 
• 131003-22-0 2,2-Bis<3-(p-fluorophenyl)-4-hydroxy-5-isopropylphenylthio>propane 

Relevant articles and documents

Design, Synthesis, and Evaluation of a Series of Novel Benzocyclobutene Derivatives as General Anesthetics

In the present work, a series of structurally novel benzocyclobutene derivatives were identified as general anesthetics through the loss of righting reflex (LORR) experiment on mice. Our initial efforts found compound 1a with a fused four-membered ring on the 2,3-position of the phenol ring could significantly improve the safety profile. Further SAR study revealed that small hydrogen bond acceptor (HBA) groups are optimal for good ED50 along with much broader therapeutic windows, such as compounds 16b and 17. Present work demonstrates the superiority of this novel benzocyclobutene scaffold.

Development of a green and sustainable manufacturing process for gefapixant citrate (MK-7264) Part 2: Development of a robust process for phenol synthesis

Various synthetic routes to 2-isopropyl-4-methoxyphenol 3, the phenol core of Gefapixant citrate (MK-7264), are described, which provide better alternatives to the initial four-step supply route. These new routes include a coumarin fragmentation approach in flow, a rhenium-catalyzed isopropylation of mequinol, and a bromination/methoxylation of 2-isopropylphenol. After exploring several approaches, a robust two-step process for the preparation of 3 from the commodity starting material 2-isopropylphenol was developed. The optimized route employs a highly regioselective bromination. After isolating the bromophenol DABCO cocrystal, a copper-catalyzed methoxylation delivers 3 in high yield. This route is successfully demonstrated at the plant scale with low process mass intensity and cost.

Isopropyl-phenol derivative and preparation method therefor

The invention relates to an isopropyl-phenol derivative and a preparation method therefor, in particular to a compound as shown in formula (I) and a novel preparation method of an intermediate of the compound.