Methyl 5-bromo-2-(cyanomethylsulfanyl)benzoate

Base Information

Chemical Name:Methyl 5-bromo-2-(cyanomethylsulfanyl)benzoate
CAS No.:881900-10-3
Molecular Formula:C₁₀H₈BrNO₂S
Molecular Weight:286.149
Hs Code.:
DSSTox Substance ID:DTXSID301256495

Synonyms:881900-10-3;DTXSID301256495;Methyl 5-bromo-2-[(cyanomethyl)thio]benzoate

Suppliers and Price of Methyl 5-bromo-2-(cyanomethylsulfanyl)benzoate

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Methyl 5-bromo-2-(cyanomethylsulfanyl)benzoate

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:284.94591
Heavy Atom Count:15
Complexity:276

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C1=C(C=CC(=C1)Br)SCC#N

Technology Process of Methyl 5-bromo-2-(cyanomethylsulfanyl)benzoate

There total 4 articles about Methyl 5-bromo-2-(cyanomethylsulfanyl)benzoate 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: 40.0%

: 881900-09-0
methyl 5-bromo-2-mercaptobenzoate

: 590-17-0
cyanomethyl bromide

: 881900-10-3
methyl 5-bromo-2-[(cyanomethyl)thio]benzoate

Guidance literature:: With potassium carbonate; In tetrahydrofuran; Heating;
DOI:10.1248/cpb.55.613

Reference yield:

: C₁₀H₉BrO₃S₂

: 881900-10-3
methyl 5-bromo-2-[(cyanomethyl)thio]benzoate

Guidance literature:: Multi-step reaction with 3 steps

1: aq. NaOH / 2 h / 80 °C

2: 88 percent / H₂SO₄ / Heating

3: 40 percent / K₂CO₃ / tetrahydrofuran / Heating

With sodium hydroxide; sulfuric acid; potassium carbonate; In tetrahydrofuran;
DOI:10.1248/cpb.55.613

Reference yield:

: 61954-80-1
5-bromo-2-mercaptobenzoic acid

: 881900-10-3
methyl 5-bromo-2-[(cyanomethyl)thio]benzoate

Guidance literature:: Multi-step reaction with 2 steps

1: 88 percent / H₂SO₄ / Heating

2: 40 percent / K₂CO₃ / tetrahydrofuran / Heating

With sulfuric acid; potassium carbonate; In tetrahydrofuran;
DOI:10.1248/cpb.55.613