1,3,5-Tribromo-2-methoxy-4-methylbenzene

Base Information

• Chemical Name: 1,3,5-Tribromo-2-methoxy-4-methylbenzene
• CAS No.: 41424-36-6
• Molecular Formula: C8H7Br3O
• Molecular Weight: 358.855
• UNII: 98ADB2UZ6G
• DSSTox Substance ID: DTXSID6044939
• Nikkaji Number: J2.406.239B
• Wikidata: Q27272107
• ChEMBL ID: CHEMBL3187774
• Mol file: 41424-36-6.mol

Synonyms:1,3,5-Tribromo-2-methoxy-4-methylbenzene;41424-36-6;UNII-98ADB2UZ6G;98ADB2UZ6G;Benzene, 1,3,5-tribromo-2-methoxy-4-methyl-;DTXSID6044939;SCHEMBL9635966;CHEMBL3187774;DTXCID4024939;Tox21_301672;AC7635;MFCD03427272;AKOS015889106;2,4,6-TRIBROMO-3-METHYLANISOLE;NCGC00256265-01;2,4,6-TRIBROMO-3-METHOXYTOLUENE;SY016032;CAS-41424-36-6;1,3,5-tribromo-2-methoxy-4-methyl-benzene;FT-0639712;J2.406.239B;1,3,5-Tribromo-2-methoxy-4-methylbenzene, 99%;A825550;Q27272107

Chemical Property of 1,3,5-Tribromo-2-methoxy-4-methylbenzene

Chemical Property:

• Vapor Pressure: 0.00042mmHg at 25°C
• Melting Point: 74-76oC(lit.)
• Boiling Point: 308-311 °C748 mm Hg(lit.)
• Flash Point: 132°C
• PSA: 9.23000
• Density: 2.013g/cm³
• LogP: 4.29110
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 357.80265
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

98%min ^*data from raw suppliers

1,3,5-Tribromo-2-methoxy-4-methylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1Br)Br)OC)Br
• Uses: 1,3,5-Tribromo-2-methoxy-4-methylbenzene (cas# 41424-36-6) is a compound useful in organic synthesis.

Technology Process of 1,3,5-Tribromo-2-methoxy-4-methylbenzene

There total 6 articles about 1,3,5-Tribromo-2-methoxy-4-methylbenzene 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: 94.0%

2,4,6-tribromo-m-cresol (4619-74-3) + dimethyl sulfate (77-78-1) → 2,4,6-tribromo-3-methylanisole (41424-36-6)

Guidance literature:

With sodium hydroxide; In water;

DOI:10.1016/S0040-4039(99)00914-4

Reference yield:

3-methyl-phenol (108-39-4) → 2,4,6-tribromo-3-methylanisole (41424-36-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 75 percent / Br₂ / H₂O / 40 °C

2: 94 percent / NaOH / H₂O

With sodium hydroxide; bromine; In water;

DOI:10.1016/S0040-4039(99)00914-4

Reference yield:

1-methoxy-3-methyl-benzene (100-84-5) → 4-bromo-3-methylanisole (27060-75-9) + 2,4-dibromo-5-methylanisole (5456-94-0) + 2,4,6-tribromo-3-methylanisole (41424-36-6) + 2,4-dibromo-3-methylanisole

Guidance literature:

With pyridinium dichlorobromate; alpha cyclodextrin; In water; at 20 ℃; for 1h; Further Variations:; Reagents; Product distribution;

DOI:10.1071/CH03102

upstream raw materials:

2,4,6-tribromo-m-cresol

dimethyl sulfate

1-methoxy-3-methyl-benzene

3-methyl-phenol

Downstream raw materials:

2,4,6-tribromo-3-methyl-5-nitro-phenol

2,4,6-tribromo-3-methyl-5-nitro-anisole

2,4,6-tribromo-m-cresol

Refernces

• 1、 Scala-Valero, Claudine,Doizi, Denis,Guillaumet, Gerald. "Synthesis of isomers of rhodamine 575 and rhodamine 6G as new laser dyes". . p. 4803 - 4806. Retrieved 2007/10/03.