2-[(Cyanomethyl)phenylamino]-5-methoxy-benzoic acid

Base Information

Chemical Name:2-[(Cyanomethyl)phenylamino]-5-methoxy-benzoic acid
CAS No.:89224-77-1
Molecular Formula:C16H14N2O3
Molecular Weight:282.299
Hs Code.:
DSSTox Substance ID:DTXSID60529328
Wikidata:Q82399691

Synonyms:89224-77-1;2-[(cyanomethyl)phenylamino]-5-methoxy-benzoic acid;SCHEMBL9536183;DTXSID60529328;YDQILENBFVCDPN-UHFFFAOYSA-N;2-[(cyanomethyl)phenylamino]-5-methoxybenzoic acid;2-[(Cyanomethyl)(phenyl)amino]-5-methoxybenzoic acid

Suppliers and Price of 2-[(Cyanomethyl)phenylamino]-5-methoxy-benzoic acid

Supply Marketing:

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

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Chemical Property of 2-[(Cyanomethyl)phenylamino]-5-methoxy-benzoic acid

Chemical Property:

PSA：73.56000
LogP:3.05508
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:282.10044231
Heavy Atom Count:21
Complexity:398

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=CC(=C(C=C1)N(CC#N)C2=CC=CC=C2)C(=O)O

Technology Process of 2-[(Cyanomethyl)phenylamino]-5-methoxy-benzoic acid

There total 3 articles about 2-[(Cyanomethyl)phenylamino]-5-methoxy-benzoic 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: 96.0%

: 89224-76-0
6-methoxy-1-phenyl-1,2-dihydro-(4H)-3,1-benzoxazin-4-one

: 89224-77-1
2-[(Cyanomethyl)phenylamino]-5-methoxy-benzoic acid

Guidance literature:: With acetic acid; In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; water;

Reference yield: 96.0%

: 151-50-8
potassium cyanide

: 89224-76-0
6-methoxy-1-phenyl-1,2-dihydro-(4H)-3,1-benzoxazin-4-one

: 89224-77-1
2-[(Cyanomethyl)phenylamino]-5-methoxy-benzoic acid

Guidance literature:: In water; at 35 - 40 ℃; for 2h;

Reference yield:

: 89224-95-3
5-methoxy-2-(phenylamino)benzoic acid

: 89224-77-1
2-[(Cyanomethyl)phenylamino]-5-methoxy-benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 83 percent / H₂O; ethanol / 1.25 h / 100 °C

2: 96 percent / H₂O / 2 h / 35 - 40 °C

In ethanol; water;