2-Bromo-5-methylphenol

Base Information

• Chemical Name: 2-Bromo-5-methylphenol
• CAS No.: 14847-51-9
• Molecular Formula: C7H7BrO
• Molecular Weight: 187.036
• Hs Code.: 2908199090
• European Community (EC) Number: 826-258-1
• NSC Number: 21719
• DSSTox Substance ID: DTXSID50281443
• Nikkaji Number: J915.694A
• Wikidata: Q72447577
• Mol file: 14847-51-9.mol

Synonyms:2-Bromo-5-methylphenol;14847-51-9;2-BROMO-5-METHYL-PHENOL;Phenol, 2-bromo-5-methyl-;MFCD11100989;4-Bromo-3-hydroxytoluene;6-Bromo-m-cresol;NSC21719;6-Bromo-3-methylphenol;2-Bromo-5-methylphenol #;SCHEMBL1701336;DTXSID50281443;NSC 21719;NSC-21719;AKOS006307132;CS-W003766;MB09252;AC-28528;AS-20041;SY020550;FT-0687038;EN300-132559;A852527;Z1198311230

Chemical Property of 2-Bromo-5-methylphenol

Chemical Property:

• Vapor Pressure: 0.0863mmHg at 25°C
• Melting Point: 38.8°C
• Refractive Index: 1.59
• Boiling Point: 218.2 °C at 760 mmHg
• PKA: 8.54±0.10(Predicted)
• Flash Point: 85.8 °C
• PSA: 20.23000
• Density: 1.554 g/cm³
• LogP: 2.46310
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), DMSO (Slightly)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 185.96803
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Bromo-5-methylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)Br)O

Technology Process of 2-Bromo-5-methylphenol

There total 13 articles about 2-Bromo-5-methylphenol 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: 80.0%

3-methyl-phenol (108-39-4) → 4-bromo-3-methylphenol (14472-14-1) + 2-bromo-3-methylphenol (22061-78-5) + 2-bromo-5-methylphenol (14847-51-9)

Guidance literature:

With N-Bromosuccinimide; In acetonitrile; for 1h; Ambient temperature;

DOI:10.1055/s-1997-1553

Reference yield: 20.0%

2-Hydroxy-4-methylanilin (2835-98-5) → 2-bromo-5-methylphenol (14847-51-9)

Guidance literature:

With hydrogen bromide; sodium nitrite; copper(I) bromide; In water; ethyl acetate;

Reference yield:

3-methyl-phenol (108-39-4) → 4-bromo-3-methylphenol (14472-14-1) + 2-bromo-5-methylphenol (14847-51-9)

Guidance literature:

With 4,4-dibromo-5-methyl-2,4-dihydro-3H-pyrazol-3-one; In acetic acid; for 20h; Ambient temperature;

DOI:10.1016/S0040-4039(97)01014-9

upstream raw materials:

2-bromo-5-methylaniline

2-Hydroxy-4-methylanilin

3-methyl-phenol

1-(methoxymethoxy)-3-methylbenzene

Downstream raw materials:

2,4-dibromo-5-methylphenol

2,6-Dibrom-3-methylphenol

6-bromo-2,4-dichloro-3-methyl-phenol

1-bromo-2-methoxy-4-methylbenzene

Refernces

• 1、 Christopher, John A.,Bamborough, Paul,Alder, Catherine,Campbell, Amanda,Cutler, Geoffrey J.,Down, Kenneth,Hamadi, Ahmed M.,Jolly, Adrian M.,Kerns, Jeffrey K.,Lucas, Fiona S.,Mellor, Geoffrey W.,Miller, David D.,Morse, Mary A.,Pancholi, Kiritkant D.,Rumsey, William,Solanke, Yemisi E.,Williamson, Rick. "Discovery of 6-aryl-7-alkoxyisoquinoline inhibitors of IκB kinase-β (IKK-β)". scheme or table. p. 3098 - 3102. Retrieved 2010/03/03.
• 2、 -. "Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists". . . Retrieved 2008/06/13.