3-(Cyanomethyl)-4-methoxybenzoic acid

Base Information

Chemical Name:3-(Cyanomethyl)-4-methoxybenzoic acid
CAS No.:77670-43-0
Molecular Formula:C₁₀H₉NO₃
Molecular Weight:191.186
Hs Code.:
DSSTox Substance ID:DTXSID501285789

Synonyms:3-(cyanomethyl)-4-methoxybenzoic acid;77670-43-0;SCHEMBL6818070;DTXSID501285789

Suppliers and Price of 3-(Cyanomethyl)-4-methoxybenzoic acid

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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 3-(Cyanomethyl)-4-methoxybenzoic acid

Chemical Property:

XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:191.058243149
Heavy Atom Count:14
Complexity:255

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)C(=O)O)CC#N

Technology Process of 3-(Cyanomethyl)-4-methoxybenzoic acid

There total 2 articles about 3-(Cyanomethyl)-4-methoxybenzoic acid 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: 87.0%

: 77670-42-9
3-(chloromethyl)-4-methoxybenzoic acid

: 143-33-9,25596-52-5
sodium cyanide

: 77670-43-0
3-cyanomethyl-4-methoxybenzoic acid

Guidance literature:: In dimethyl sulfoxide;
DOI:10.1039/P19810000553

Reference yield:

: 100-09-4
4-methoxybenzoic acid

: 77670-43-0
3-cyanomethyl-4-methoxybenzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 95 percent / HCl gas., ZnCl₂ / 7 h / 70 °C

2: 87 percent / dimethylsulfoxide

With hydrogenchloride; zinc(II) chloride; In dimethyl sulfoxide;
DOI:10.1039/P19810000553