3-[5-(4-Chlorophenyl)furan-2-yl]acrylic acid

Base Information

Chemical Name:3-[5-(4-Chlorophenyl)furan-2-yl]acrylic acid
CAS No.:58110-37-5
Molecular Formula:C13H9ClO3
Molecular Weight:352.12
Hs Code.:2932190090
European Community (EC) Number:623-500-6
Nikkaji Number:J2.919.960D
ChEMBL ID:CHEMBL1771764
Mol file:58110-37-5.mol

Synonyms:58110-37-5;3-[5-(4-Chlorophenyl)furan-2-yl]acrylic acid;(2E)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoic acid;62806-34-2;(E)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoic acid;3-(5-(4-Chlorophenyl)furan-2-yl)acrylic acid;(E)-3-(5-(4-chlorophenyl)furan-2-yl)acrylic acid;2-Propenoic acid, 3-[5-(4-chlorophenyl)-2-furanyl]-, (E)-;3-(5-(4-Chlorophenyl)furan-2-yl)acrylic&;SCHEMBL3500178;SCHEMBL3500182;CHEMBL1771764;FPSINWFYJYHUBV-SOFGYWHQSA-N;HMS1397A06;BBL009471;MFCD00192863;STK281698;AKOS000109335;VS-02077;BB 0244994;3-(5-(4-Chlorophenyl)furan-2-yl)acrylicacid;SR-01000430067;Acrylic acid, 3-[5-(4-chlorophenyl)furan-2-yl]-;SR-01000430067-1;3-[5-(4-Chlorophenyl)furan-2-yl]acrylic acid, 97%;F0165-0102;(E)-3-[5-(4-Chloro-phenyl)-furan-2-yl]-acrylic acid

Suppliers and Price of 3-[5-(4-Chlorophenyl)furan-2-yl]acrylic 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

Sigma-Aldrich
3-[5-(4-Chlorophenyl)furan-2-yl]acrylic acid 97%
1g
$ 32.90

American Custom Chemicals Corporation
3-[5-(4-CHLOROPHENYL)FURAN-2-YL]ACRYLIC ACID 95.00%
1G
$ 640.70

Total 8 raw suppliers

Chemical Property of 3-[5-(4-Chlorophenyl)furan-2-yl]acrylic acid

Chemical Property:

Vapor Pressure:1.01E-07mmHg at 25°C
Melting Point:195-199 °C(lit.)
Refractive Index:1.625
Boiling Point:417.6°C at 760 mmHg
PKA:4.28±0.10(Predicted)
Flash Point:206.4°C
PSA：50.44000
Density:1.343g/cm³
LogP:3.69780
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:248.0240218
Heavy Atom Count:17
Complexity:295

Purity/Quality:

99% ^*data from raw suppliers

3-[5-(4-Chlorophenyl)furan-2-yl]acrylic acid 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi,N
Statements: 41-50/53
Safety Statements: 26-39-60-61

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C2=CC=C(O2)C=CC(=O)O)Cl
Isomeric SMILES:C1=CC(=CC=C1C2=CC=C(O2)/C=C/C(=O)O)Cl

Technology Process of 3-[5-(4-Chlorophenyl)furan-2-yl]acrylic acid

There total 14 articles about 3-[5-(4-Chlorophenyl)furan-2-yl]acrylic 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: 92.0%

: 34035-03-5
5-(4-chlorophenyl)-2-furaldehyde

: 141-82-2
malonic acid

: 62806-34-2,58110-37-5
(E)-3-[5-(4-chlorophenyl)-2-furyl]-2-propenoic acid

Guidance literature:: With piperidine; pyridine; for 4h; Heating;

Reference yield: 45.0%

: rac-2-amino-3-(5-(4-chlorophenyl)furan-2-yl)propanoic acid

: 62806-34-2,58110-37-5
(E)-3-[5-(4-chlorophenyl)-2-furyl]-2-propenoic acid

: C₁₃H₁₂ClNO₃

Guidance literature:: With phenylalanine ammonia-lyase; at 30 ℃; for 168h; pH=8.8; optical yield given as %ee; enantioselective reaction; aq. buffer; Inert atmosphere; Enzymatic reaction;
DOI:10.3987/COM-10-S(E)60

Reference yield:

: 34035-03-5
5-(4-chlorophenyl)-2-furaldehyde

: 62806-34-2,58110-37-5
(E)-3-[5-(4-chlorophenyl)-2-furyl]-2-propenoic acid

Guidance literature:: Multi-step reaction with 7 steps

1.1: sodium tetrahydroborate / methanol / 20 °C

2.1: thionyl chloride; benzotriazol-1-ol / dichloromethane

3.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0.5 h / 20 °C / Inert atmosphere

3.2: 20 - 60 °C

4.1: water; sodium hydroxide / methanol / 20 h / 20 °C

5.1: toluene / 2 h / Reflux

6.1: hydrogenchloride / 1,4-dioxane / 4 h / Reflux

7.1: phenylalanine ammonia-lyase / 168 h / 30 °C / pH 8.8 / aq. buffer; Inert atmosphere; Enzymatic reaction

With hydrogenchloride; sodium tetrahydroborate; thionyl chloride; phenylalanine ammonia-lyase; water; sodium hydride; benzotriazol-1-ol; sodium hydroxide; In 1,4-dioxane; methanol; dichloromethane; N,N-dimethyl-formamide; toluene; mineral oil;
DOI:10.3987/COM-10-S(E)60