2-Bromo-4-(isothiocyanatomethyl)-1-methoxybenzene

Base Information

• Chemical Name: 2-Bromo-4-(isothiocyanatomethyl)-1-methoxybenzene
• CAS No.: 52287-10-2
• Molecular Formula: C₉H₈BrNOS
• Molecular Weight: 258.139
• DSSTox Substance ID: DTXSID50532745
• Mol file: 52287-10-2.mol

Synonyms:2-Bromo-4-(isothiocyanatomethyl)-1-methoxybenzene;52287-10-2;DTXSID50532745

Chemical Property of 2-Bromo-4-(isothiocyanatomethyl)-1-methoxybenzene

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 256.95100
• Heavy Atom Count: 13
• Complexity: 206

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CN=C=S)Br

Technology Process of 2-Bromo-4-(isothiocyanatomethyl)-1-methoxybenzene

There total 1 articles about 2-Bromo-4-(isothiocyanatomethyl)-1-methoxybenzene 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:

3-bromo-4-methoxybenzyl chloride (701-94-0) + potassium thioacyanate (333-20-0) → 2-bromo-4-isothiocyanatomethyl-1-methoxy-benzene (52287-10-2)

Guidance literature:

DOI:10.1007/BF02508374

Reference yield: 54.0%

3-bromo-4-methoxyphenylacetic acid hydrazide (287487-16-5) + 2-bromo-4-isothiocyanatomethyl-1-methoxy-benzene (52287-10-2) → C18H19Br2N3O3S

Guidance literature:

In ethanol; for 1h; Heating;

DOI:10.1007/BF02508374

Reference yield: 36.0%

2-bromo-4-isothiocyanatomethyl-1-methoxy-benzene (52287-10-2) + (3-bromo-4-butoxy-phenyl)-acetic acid hydrazide → C21H25Br2N3O3S

Guidance literature:

In ethanol; for 1h; Heating;

DOI:10.1007/BF02508374

upstream raw materials:

3-bromo-4-methoxybenzyl chloride

potassium thioacyanate

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