4-[5-(3,4-Dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid

Base Information

Chemical Name:4-[5-(3,4-Dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CAS No.:4854-48-2
Molecular Formula:C19H20N2O6
Molecular Weight:372.3719
Hs Code.:
DSSTox Substance ID:DTXSID70390046
Mol file:4854-48-2.mol

Synonyms:BAS 06591429;4854-48-2;4-[5-(3,4-dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid;DTXSID70390046;STK739612;AKOS000638618;Z57805406;4-[3-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

Suppliers and Price of 4-[5-(3,4-Dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic 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

Matrix Scientific
1-Propanamidocyclohexane-1-carboxylic acid 95%
2.500g
$ 1238.00

A1 Biochem Labs
1-Propanamidocyclohexane-1-carboxylicacid 95%
5 g
$ 850.00

Total 2 raw suppliers

Chemical Property of 4-[5-(3,4-Dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid

Chemical Property:

Vapor Pressure:1.65E-13mmHg at 25°C
Boiling Point:562.9°Cat760mmHg
Flash Point:294.2°C
PSA：101.57000
Density:1.33g/cm³
LogP:2.21280
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:372.13213636
Heavy Atom Count:27
Complexity:581

Purity/Quality:

95% ^*data from raw suppliers

1-Propanamidocyclohexane-1-carboxylic acid 95% ^*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)C2=NN(C(C2)C3=CC=CO3)C(=O)CCC(=O)O)OC

Technology Process of 4-[5-(3,4-Dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid

There total 1 articles about 4-[5-(3,4-Dimethoxyphenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic 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: 80.0%

: 2756-85-6
1-aminocyclohexane carboxylic acid

: 79-03-8
propionyl chloride

: 4854-48-2
1-propionylamino-cyclohexanecarboxylic acid

Guidance literature:: With sodium hydroxide; In water; toluene; at 0 - 10 ℃; for 1.5h;
DOI:10.1080/00397910600634514

Reference yield: 88.0%

: 4854-48-2
1-propionylamino-cyclohexanecarboxylic acid

: 133690-92-3
[(2'-cyanobiphenyl-4-yl)methyl]amine

: 909131-34-6
1-propionylamino-cyclohexanecarboxylic acid (2'-cyano-biphenyl-4-ylmethyl)-amide

Guidance literature:: With benzotriazol-1-ol; dicyclohexyl-carbodiimide; In dichloromethane;
DOI:10.1080/00397910600634514

Reference yield:

: 4854-48-2
1-propionylamino-cyclohexanecarboxylic acid

: 2-ethyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-1,3-diaza-spiro[4.5]dec-1-en-4-one

Guidance literature:: Multi-step reaction with 3 steps

1: 88 percent / 1-hydroxybenzotriazole; dicyclohexylcarbodiimide / CH₂Cl₂

2: 84 percent / tributyltin chloride; sodium azide / o-xylene / Heating

3: 74 percent / trifluoroacetic acid / toluene / Heating

With sodium azide; tributyltin chloride; benzotriazol-1-ol; dicyclohexyl-carbodiimide; trifluoroacetic acid; In dichloromethane; o-xylene; toluene;
DOI:10.1080/00397910600634514