Vermella

Base Information

• Chemical Name: Vermella
• CAS No.: 15062-34-7
• Molecular Formula: C10H13BrO
• Molecular Weight: 229.117
• Hs Code.: 2908199090
• DSSTox Substance ID: DTXSID30164583
• Nikkaji Number: J59.683C
• Wikidata: Q83033642
• Mol file: 15062-34-7.mol

Synonyms:15062-34-7;4-bromo-2-isopropyl-5-methylphenol;Vermella;Bromothymol;4-Bromothymol;Killvermyl;6-Bromothymol;4-bromo-5-methyl-2-propan-2-ylphenol;4-Bromthymol [German];Phenol, 4-bromo-5-methyl-2-(1-methylethyl)-;4-Bromthymol;Thymol, 6-bromo-;4-BROMO-5-METHYL-2-(PROPAN-2-YL)PHENOL;4-Brom-2-isopropyl-5-methylphenol;6-Brom-3-hydroxy-4-isopropyltoluol;BRN 2963062;4-Bromo-5-methyl-2-(1-methylethyl)phenol;AI3-08052;2-Isopropyl-4-bromo-5-methylphenol;4-06-00-03347 (Beilstein Handbook Reference);PHENOL,4-BROMO-5-METHYL-2-(1-METHYLETHYL)-;SCHEMBL22487;DTXSID30164583;MFCD01679741;ZB0531;4-bromo-2-isopropyl-5-methyl-phenol;AKOS015949044;LS-153803;CS-0214835;EN300-198013;Phenol, 4-bromo-5-methyl-2-(1-methylethyl)- (9CI)

Chemical Property of Vermella

Chemical Property:

• Vapor Pressure: 0.009mmHg at 25°C
• Melting Point: 55 °C
• Refractive Index: 1.557
• Boiling Point: 281.76 °C at 760 mmHg
• PKA: 10.04±0.23(Predicted)
• Flash Point: 124.204 °C
• PSA: 20.23000
• Density: 1.345 g/cm³
• LogP: 3.58650
• Storage Temp.: 2-8°C
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 228.01498
• Heavy Atom Count: 12
• Complexity: 147

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-5-methyl-2-(propan-2-yl)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1Br)C(C)C)O

Technology Process of Vermella

There total 12 articles about Vermella 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: 82.0%

thymol (89-83-8) → 4-bromo-2-isopropyl-5-methylphenol (15062-34-7)

Guidance literature:

With bromine; In acetic acid; at 0 - 20 ℃; for 6h;

Reference yield:

thymol (89-83-8) → thymoquinone (490-91-5) + 2,4-dibromo-6-isopropyl-3-methylphenol (52262-38-1) + 2-bromo-6-isopropyl-3-methylphenol (13019-31-3) + 4-bromo-2-isopropyl-5-methylphenol (15062-34-7)

Guidance literature:

With perchloric acid; ammonium metavanadate; dihydrogen peroxide; potassium bromide; In water; at 45 ℃; for 24h; pH=1; Catalytic behavior;

DOI:10.1002/ejic.201500086

Reference yield:

piperitone dibromide → thymol (89-83-8) + piperitone (89-81-6,6091-52-7) + 6-hydroxy-6-isopropyl-3-methylcyclohex-2-enone (1197-72-4) + 4-bromo-2-isopropyl-5-methylphenol (15062-34-7)

Guidance literature:

With potassium hydroxide; In 1,4-dioxane; for 48h;

DOI:10.1016/S0040-4020(01)92025-3

upstream raw materials:

thymol

2-isopropyl-5-methylphenyl benzoate

acetic acid

piperitone

Downstream raw materials:

2-bromo-6-isopropyl-3-methyl-4-nitro-phenol

4-bromo-2-isopropyl-1-methoxy-5-methylbenzene

4-bromo-2-isopropyl-5-methylphenyl thiophene-2-carboxylate

5-methyl-2-isopropyl-4-cyanophenol

Refernces

• 1、 Maurya, Mannar R.,Prakash, Ved,Avecilla, Fernando,Sankar, Muniappan. "Selective Bromination of β-Positions of Porphyrin by Self-Catalytic Behaviour of VOTPP: Facile Synthesis, Electrochemical Redox Properties and Catalytic Application". . p. 1685 - 1694. Retrieved 2021/05/03.
• 2、 Piombino, Claudio,Lange, Heiko,Sabuzi, Federica,Galloni, Pierluca,Conte, Valeria,Crestini, Claudia. "Lignosulfonate microcapsules for delivery and controlled release of thymol and derivatives". . . Retrieved 2020/02/25.