3-(3-Oxo-3-ethoxy-1-propenyl)benzoic acid

Base Information

Chemical Name:3-(3-Oxo-3-ethoxy-1-propenyl)benzoic acid
CAS No.:91047-79-9
Molecular Formula:C12H12O4
Molecular Weight:220.225
Hs Code.:
DSSTox Substance ID:DTXSID301230952
Nikkaji Number:J1.328.001K
ChEMBL ID:CHEMBL45105

Synonyms:91047-79-9;3-(3-Oxo-3-ethoxy-1-propenyl)benzoic acid;(E)-3-(3-ethoxy-3-oxoprop-1-en-1-yl)benzoic acid;Benzoic acid, 3-[(1E)-3-ethoxy-3-oxo-1-propen-1-yl]-;CHEMBL45105;3-[(1E)-3-Ethoxy-3-oxo-1-propen-1-yl]benzoic acid;SCHEMBL1234979;VQKMUYLJAOIAHQ-VOTSOKGWSA-N;DTXSID301230952;AKOS022653606;CS-0117814;3-[(1E)-3-ethoxy-3-oxoprop-1-enyl]benzoic acid;3-[(E)-3-ethoxy-3-oxoprop-1-enyl]benzoic acid;3-[(1E)-3-ethoxy-3-oxoprop-1-en-1-yl]benzoic acid

Suppliers and Price of 3-(3-Oxo-3-ethoxy-1-propenyl)benzoic 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

Total 4 raw suppliers

Chemical Property of 3-(3-Oxo-3-ethoxy-1-propenyl)benzoic acid

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:220.07355886
Heavy Atom Count:16
Complexity:283

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-(3-Oxo-3-ethoxy-1-propenyl)benzoic acid

There total 4 articles about 3-(3-Oxo-3-ethoxy-1-propenyl)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: 100.0%

: 140-88-5,9003-32-1
ethyl acrylate

: 618-51-9
3-Iodobenzoic acid

: 91047-79-9
(E)-3-(3-ethoxy-3-oxoprop-1-en-1-yl)benzoic acid

Guidance literature:: With triethylamine; palladium diacetate; In N,N-dimethyl-formamide; at 140 ℃; for 3h;

Reference yield: 100.0%

: 1071-46-1
hydrogen ethyl malonate

: 619-21-6
m-formylphenyl benzoic acid

: 91047-79-9
(E)-3-(3-ethoxy-3-oxoprop-1-en-1-yl)benzoic acid

Guidance literature:: With piperidine; In pyridine; at 100 ℃; for 18h; Inert atmosphere;

Reference yield: 81.0%

: 585-76-2
m-bromobenzoic acid

: 140-88-5,9003-32-1
ethyl acrylate

: 91047-79-9
(E)-3-(3-ethoxy-3-oxoprop-1-en-1-yl)benzoic acid

Guidance literature:: With Pd(OAc)2[P(2-tolyl)3]2; sodium acetate; tris-(o-tolyl)phosphine; In N,N-dimethyl-formamide; at 130 ℃; for 5h;
DOI:10.1016/0022-328X(84)80097-2