2-(1-Thienyl)ethyl 3,4-dihydroxybenzylidenecyanoacetate

Base Information

Chemical Name:2-(1-Thienyl)ethyl 3,4-dihydroxybenzylidenecyanoacetate
CAS No.:132464-92-7
Molecular Formula:C12H11NO4
Molecular Weight:233.224
Hs Code.:
ChEMBL ID:CHEMBL38168
DSSTox Substance ID:DTXSID001156561
Nikkaji Number:J1.172.269E,J377.769C
Mol file:132464-92-7.mol

Synonyms:132464-92-7;2-(1-THIENYL)ETHYL 3,4-DIHYDROXYBENZYLIDENECYANOACETATE;Ethyl 3,4-dihydroxy-benzylidenecyanoacetate;CHEMBL38168;ethyl (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate;Ethyl 2-cyano-3-(3,4-dihydroxyphenyl)acrylate;126716-40-3;SCHEMBL9218611;DTXSID001156561;BDBM50011932;(E)-ethyl 2-cyano-3-(3,4-dihydroxyphenyl)acrylate;Ethyl (E)-2-cyano-3-(3,4-dihydroxyphenyl)acrylate;2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid ethyl ester;ethyl (2E)-2-cyano-3-(3,4-dihydroxyphenyl)-2-propenoate;2-Propenoic acid, 2-cyano-3-(3,4-dihydroxyphenyl)-, ethyl ester, (E)-

Suppliers and Price of 2-(1-Thienyl)ethyl 3,4-dihydroxybenzylidenecyanoacetate

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

Total 7 raw suppliers

Chemical Property of 2-(1-Thienyl)ethyl 3,4-dihydroxybenzylidenecyanoacetate

Chemical Property:

Boiling Point:437.9±45.0 °C(Predicted)
PKA:8.79±0.10(Predicted)
PSA：90.55000
Density:1.344±0.06 g/cm3(Predicted)
LogP:1.56788
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:233.06880783
Heavy Atom Count:17
Complexity:355

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(=CC1=CC(=C(C=C1)O)O)C#N
Isomeric SMILES:CCOC(=O)/C(=C/C1=CC(=C(C=C1)O)O)/C#N

Technology Process of 2-(1-Thienyl)ethyl 3,4-dihydroxybenzylidenecyanoacetate

There total 2 articles about 2-(1-Thienyl)ethyl 3,4-dihydroxybenzylidenecyanoacetate 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:

: 110-89-4
piperidine

: 105-56-6
ethyl 2-cyanoacetate

: 139-85-5
3,4-dihydroxybenzaldehyde

: 132464-92-7
ethyl α-cyano-β-(3,4-dihydroxyphenyl)acrylate

Guidance literature:: In ethanol; water;

Reference yield:

: 64-17-5
ethanol

: 14447-18-8
benzyl 2-cyanoacetate

: 139-85-5
3,4-dihydroxybenzaldehyde

: 132464-92-7
ethyl α-cyano-β-(3,4-dihydroxyphenyl)acrylate

: (E)-2-Cyano-3-(3,4-dihydroxy-phenyl)-acrylic acid benzyl ester

Guidance literature:: With Merrifields's resin-bound piperazine; for 2h; Heating;
DOI:10.1016/S0040-4039(99)01448-3

Reference yield: 77.0%

: 132464-92-7
ethyl α-cyano-β-(3,4-dihydroxyphenyl)acrylate

: (Z)-3,4-dihydroxybenzaldehyde oxime

Guidance literature:: With hydroxylamine hydrochloride; sodium carbonate; In methanol; water; at 100 ℃; for 1h; stereoselective reaction;
DOI:10.1016/j.molstruc.2020.128699