5-Bromo-2-chloro-m-xylene

Base Information

• Chemical Name: 5-Bromo-2-chloro-m-xylene
• CAS No.: 206559-40-2
• Molecular Formula: C8H8BrCl
• Molecular Weight: 219.509
• Hs Code.: 2903998090
• European Community (EC) Number: 673-533-5
• DSSTox Substance ID: DTXSID80370793
• Nikkaji Number: J2.500.178H
• Wikidata: Q82157952
• Mol file: 206559-40-2.mol

Synonyms:5-Bromo-2-chloro-m-xylene;206559-40-2;5-bromo-2-chloro-1,3-dimethylbenzene;5-bromo-2-chloro-3-xylene;Benzene, 5-bromo-2-chloro-1,3-dimethyl-;5-bromo-2-chloro-1,3-dimethyl-benzene;SCHEMBL264803;DTXSID80370793;PKTXUGAXFJNLQR-UHFFFAOYSA-N;AMY28448;3,5-Dimethyl-4-chlorophenyl bromide;MFCD03094622;AKOS015834384;AS-19850;CS-0187114;FT-0676143;F20967;EN300-1699002

Chemical Property of 5-Bromo-2-chloro-m-xylene

Chemical Property:

• Vapor Pressure: 0.0621mmHg at 25°C
• Boiling Point: 131°C 1mm
• Flash Point: 118.1°C
• PSA: 0.00000
• Density: 1,48 g/cm3
• LogP: 3.71930
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 217.94979
• Heavy Atom Count: 10
• Complexity: 104

Purity/Quality:

98%Min ^*data from raw suppliers

5-Bromo-2-chloro-m-xylene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1Cl)C)Br

Technology Process of 5-Bromo-2-chloro-m-xylene

There total 2 articles about 5-Bromo-2-chloro-m-xylene 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: 76.0%

4-bromo-2,6-dimethylphenylamine (24596-19-8) → 5-bromo-2-chloro-1,3-dimethyl-benzene (206559-40-2)

Guidance literature:

4-bromo-2,6-dimethylphenylamine; With hydrogenchloride; sodium nitrite; In water; at 0 ℃; for 0.333333h;

With hydrogenchloride; copper(l) chloride; In water; at 20 - 70 ℃; for 16h;

Reference yield: 70.0%

5-bromo-1,3-xylene (556-96-7) → 5-bromo-2-chloro-1,3-dimethyl-benzene (206559-40-2)

Guidance literature:

5-bromo-1,3-xylene; With hydrogenchloride; sodium nitrite; In water; at 0 ℃; for 0.333333h;

With hydrogenchloride; copper(l) chloride; In water; at 20 - 70 ℃; for 17h;

Reference yield: 93.0%

5-bromo-2-chloro-1,3-dimethyl-benzene (206559-40-2) + 3-methoxyphenyl bromide (2398-37-0) → 2-chloro-5-((3-methoxyphenyl)sulfonyl)-1,3-dimethylbenzene

Guidance literature:

5-bromo-2-chloro-1,3-dimethyl-benzene; With tert.-butyl lithium; In n-heptane; dibutyl ether; at -10 - 20 ℃; Inert atmosphere; Schlenk technique;

With 1,4-diazabicyclo [2.2.2] octane-1,4-diium-1,4-disulfinate; In 1,4-dioxane; n-heptane; dibutyl ether; at 20 ℃; for 2h; Inert atmosphere; Schlenk technique;

3-methoxyphenyl bromide; With palladium diacetate; caesium carbonate; (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(bis(3,5-bis(trifluoromethyl)phenyl)phosphine); In 1,4-dioxane; n-heptane; dibutyl ether; at 110 ℃; for 16h; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1002/anie.201305369

upstream raw materials:

5-bromo-1,3-xylene

4-bromo-2,6-dimethylphenylamine

Downstream raw materials:

2-acetylamino-3-(4-chloro-3,5-dimethyl-phenyl)-acrylic acid methyl ester

4-chloro-3,5-dimethylbenzenecarboxylic acid

2-bromo-4-(4-chloro-3,5-dimethylphenyl)-5-methylindene

2-{2-(5-methylfuryl)}-4-(4-chloro-3,5-dimethylphenyl)-5-methylindene