3-Bromoanisole

Base Information

• Chemical Name: 3-Bromoanisole
• CAS No.: 2398-37-0
• Molecular Formula: C7H7BrO
• Molecular Weight: 187.036
• Hs Code.: 29093038
• European Community (EC) Number: 219-264-5
• NSC Number: 82293
• UNII: 7ZO6TY38WY
• DSSTox Substance ID: DTXSID4044618
• Nikkaji Number: J12.874K
• Wikidata: Q27269080
• ChEMBL ID: CHEMBL3182998
• Mol file: 2398-37-0.mol

Synonyms:3-Bromoanisole;2398-37-0;1-BROMO-3-METHOXYBENZENE;m-Bromoanisole;3-Methoxybromobenzene;m-Bromomethoxybenzene;Benzene, 1-bromo-3-methoxy-;Anisole, m-bromo-;3-Bromo anisole;3-Methoxy-1-bromobenzene;m-Methoxybromobenzene;meta-bromoanisole;m-Bromophenyl methyl ether;1-bromo-3-methoxy-benzene;meta bromo anisole;MFCD00000081;NSC 82293;UNII-7ZO6TY38WY;7ZO6TY38WY;DTXSID4044618;EINECS 219-264-5;NSC-82293;m-Anisyl bromide;m-Methoxyphenyl bromide;3-Methoxyphenyl bromide;3-bromo-1-methoxybenzene;meta bromoanisole;3-Bromoanisol;3-bromo-anisole;3-bromo anisol;3-bromo-anisol;bromoanisole(3-);NSC82293;3-methoxy bromobenzene;3-methoxy-bromobenzene;Bromoanisole, 99, 3-;1-bromo-3-methoxy benzene;3-Bromoanisole, >=98%;1-bromanyl-3-methoxy-benzene;SCHEMBL156145;CHEMBL3182998;DTXCID2024618;SCHEMBL12015262;STR06107;3-Methoxybromobenzene m-Bromoanisole;Tox21_302612;AKOS000120527;AM86792;CS-W016868;PS-4128;NCGC00256727-01;AC-15078;SY002244;CAS-2398-37-0;B0545;FT-0628172;EN300-16116;B-5680;B-5700;A817024;Q27269080;F0001-0820

Chemical Property of 3-Bromoanisole

Chemical Property:

• Appearance/Colour: colorless clear liquid
• Vapor Pressure: 0.278mmHg at 25°C
• Melting Point: 2 °C
• Refractive Index: 1.5635
• Boiling Point: 210.5 °C at 760 mmHg
• Flash Point: 93.3 °C
• PSA: 9.23000
• Density: 1.442 g/cm³
• LogP: 2.45770
• Storage Temp.: Store below +30°C.
• Solubility.: DMSO (Sparingly), Methanol (Slightly)
• Water Solubility.: Miscible in methanol, benzene, hexane, toluene and dichloromethane. Practically insoluble in water.
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 185.96803
• Heavy Atom Count: 9
• Complexity: 85

Purity/Quality:

99% ^*data from raw suppliers

3-Bromoanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Anisoles
• Canonical SMILES: COC1=CC(=CC=C1)Br
• Uses: 3-Bromoanisole used in chemical reaction as intermediates to obtain target materials such as dyes, pharmaceuticals, perfumes, photoinitiators and agrochemicals.

Technology Process of 3-Bromoanisole

There total 23 articles about 3-Bromoanisole 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: 99.0%

3-Bromophenol (591-20-8) + methyl iodide (74-88-4) → 3-methoxyphenyl bromide (2398-37-0)

Guidance literature:

With potassium hydroxide; In tetrahydrofuran; for 16h;

DOI:10.1039/b514205a

Reference yield: 95.0%

3-Bromophenol (591-20-8) + carbonic acid dimethyl ester (616-38-6) → 3-methoxyphenyl bromide (2398-37-0)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In sulfolane; at 220 ℃; for 0.166667h;

DOI:10.1021/op3002068

Reference yield: 95.0%

3-Bromophenol (591-20-8) + dimethyl sulfate (77-78-1) → 3-methoxyphenyl bromide (2398-37-0)

Guidance literature:

3-Bromophenol; With potassium carbonate; In acetone; for 0.25h;

dimethyl sulfate; In acetone; for 10h; Reflux;

DOI:10.1055/s-0033-1339310

upstream raw materials:

methanol

m-Anisidine

3-Bromophenol

methyl p-toluene sulfonate

Downstream raw materials:

5-Bromo-2-(1,1-dimethylethyl)-1-methoxybenzene

(2-methoxy-phenyl)-(3-methoxy-phenyl)-ether

3-duetero-4-iodoanisole

2-bromo-4-methoxybenzyl chloride

Refernces

• 1、 Blakemore, David C.,Castellano, Felix N.,Chen, Tiffany Q.,Danilov, Evgeny O.,Dechert-Schmitt, Anne-Marie,Dow, Nathan W.,Fayad, Remi,Hauke, Cory E.,Knauber, Thomas,Macmillan, David W. C.,Pedersen, P. Scott,Rosko, Michael C.. "A Unified Approach to Decarboxylative Halogenation of (Hetero)aryl Carboxylic Acids". supporting information. . Retrieved 2022/05/20.
• 2、 Bhatthula, Bharath kumar goud,Kanchani, Janardhan reddy,Arava, Veera reddy,Subha. "Total synthesis of carbazole alkaloids". supporting information. p. 874 - 887. Retrieved 2019/01/11.