2-Bromo-4,5-dimethoxybenzonitrile

Base Information

• Chemical Name: 2-Bromo-4,5-dimethoxybenzonitrile
• CAS No.: 109305-98-8
• Molecular Formula: C9H8 Br N O2
• Molecular Weight: 242.072
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID40401673
• Nikkaji Number: J868.804D
• Wikidata: Q82204886
• Mol file: 109305-98-8.mol

Synonyms:2-bromo-4,5-dimethoxybenzonitrile;109305-98-8;2-bromo-4,5-dimethoxy-benzonitrile;MFCD02256761;SCHEMBL7980232;DTXSID40401673;AKOS000303537;DS-3090;NCGC00340316-01;SY101104;2-Bromo-4 pound not5-dimethoxybenzonitrile;CS-0196500;2-Bromo-4,5-dimethoxybenzonitrile, AldrichCPR;AB01332892-02

Chemical Property of 2-Bromo-4,5-dimethoxybenzonitrile

Chemical Property:

• Vapor Pressure: 0.000235mmHg at 25°C
• Melting Point: 118-119 °C
• Refractive Index: 1.569
• Boiling Point: 325.1°C at 760 mmHg
• Flash Point: 150.4°C
• PSA: 42.25000
• Density: 1.53g/cm³
• LogP: 2.33798
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 240.97384
• Heavy Atom Count: 13
• Complexity: 213

Purity/Quality:

97% ^*data from raw suppliers

2-Bromo-4,5-dimethoxybenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C(=C1)C#N)Br)OC

Technology Process of 2-Bromo-4,5-dimethoxybenzonitrile

There total 14 articles about 2-Bromo-4,5-dimethoxybenzonitrile 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: 100.0%

2-bromo-4,5-dimethoxybenzaldehyde oxime (198204-67-0) → 2-bromo-4,5-dimethoxybenzonitrile (109305-98-8)

Guidance literature:

With acetic anhydride; for 4h; Heating;

DOI:10.1002/jhet.5570340412

Reference yield: 99.0%

2-bromo-4,5-dimethoxy-benzamide (82463-75-0) → 2-bromo-4,5-dimethoxybenzonitrile (109305-98-8)

Guidance literature:

With thionyl chloride; for 3h; Reflux; Inert atmosphere;

DOI:10.1039/c0ob00449a

Reference yield: 96.0%

2-bromo-4,5-dimethoxybenzaldehyde (5392-10-9) → 2-bromo-4,5-dimethoxybenzonitrile (109305-98-8)

Guidance literature:

With HCl·DMPU; hydroxylamine hydrochloride; In acetonitrile; at 60 ℃;

DOI:10.1039/d0gc00757a

upstream raw materials:

2-bromo-4,5-dimethoxybenzaldehyde oxime

acetic anhydride

2-bromo-4,5-dimethoxybenzaldehyde

2-bromo-4,5-dimethoxybenzoic acid

Downstream raw materials:

2-bromo-4,5-dimethoxybenzoic acid

4,5-dimethoxy-2-(2-(trimethylsilyl)ethynyl)benzonitrile

methyl 3-amino-5,6-dimethoxy[1]benzothiophene-2-carboxylate

2-(2-ethoxyethenyl)-4,5-dimethoxybenzonitrile