2-Cyano-3-(3,4-dimethoxyphenyl)propanoic acid

Base Information

Chemical Name:2-Cyano-3-(3,4-dimethoxyphenyl)propanoic acid
CAS No.:55502-61-9
Molecular Formula:C12H13NO4
Molecular Weight:235.24
Hs Code.:2926909090
European Community (EC) Number:611-278-3
DSSTox Substance ID:DTXSID80564377
Mol file:55502-61-9.mol

Synonyms:55502-61-9;2-Cyano-3-(3,4-dimethoxyphenyl)propanoic acid;2-Cyano-3-(3,4-dimethoxyphenyl)propionic Acid;2-CYANO-3-(3,4-DIMETHOXYPHENYL)-PROPIONIC ACID;DTXSID80564377;MFCD09800427;AKOS022221704;SY047920;A923891;2-CYANO-3-(3,4-DIMETHOXYPHENYL)-PROPIONICACID

Suppliers and Price of 2-Cyano-3-(3,4-dimethoxyphenyl)propanoic acid

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
2-CYANO-3-(3,4-DIMETHOXYPHENYL)-PROPIONIC ACID 95.00%
1G
$ 867.12

AK Scientific
2-Cyano-3-(3,4-dimethoxyphenyl)propanoicacid
5g
$ 991.00

Total 5 raw suppliers

Chemical Property of 2-Cyano-3-(3,4-dimethoxyphenyl)propanoic acid

Chemical Property:

Vapor Pressure:1.05E-07mmHg at 25°C
Refractive Index:1.537
Boiling Point:417.1°C at 760 mmHg
Flash Point:206.1°C
PSA：79.55000
Density:1.227g/cm³
LogP:1.47068
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:235.08445790
Heavy Atom Count:17
Complexity:309

Purity/Quality:

99.9% ^*data from raw suppliers

2-CYANO-3-(3,4-DIMETHOXYPHENYL)-PROPIONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2-Cyano-3-(3,4-dimethoxyphenyl)propanoic acid

There total 3 articles about 2-Cyano-3-(3,4-dimethoxyphenyl)propanoic 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: 89.3%

: 86213-20-9
2-cyano-3-(3,4-dimethoxyphenyl)acrylic acid

: 55502-61-9
2-cyano-3-(3,4-dimethoxyphenyl)propionic acid

Guidance literature:: With palladium on activated charcoal; hydrogen; In tetrahydrofuran; at 20 ℃; for 5h;

Reference yield:

: 37389-84-7
ethyl 2-cyano-3-(3,4-dimethoxyphenyl)propanoate

: 55502-61-9
2-cyano-3-(3,4-dimethoxyphenyl)propionic acid

Guidance literature:: With sodium hydroxide; In ethanol; water; at 20 ℃; for 18h; Cooling with ice;
DOI:10.1016/j.tetlet.2020.151727

Reference yield:

: 120-14-9
3,4-dimethoxy-benzaldehyde

: 55502-61-9
2-cyano-3-(3,4-dimethoxyphenyl)propionic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 85 percent / NH₄Ac / toluene

2: 80 percent / NaBH₄ / methanol

With sodium tetrahydroborate; ammonium acetate; In methanol; toluene; 1: Knoevenagel condensation;
DOI:10.1055/s-2006-926410