(E)-4-(1,3-Benzodioxol-4-yl)-3-butenoic acid

Base Information

Chemical Name:(E)-4-(1,3-Benzodioxol-4-yl)-3-butenoic acid
CAS No.:184360-97-2
Molecular Formula:C₁₁H₁₀O₄
Molecular Weight:206.198
Hs Code.:
DSSTox Substance ID:DTXSID801250692
Nikkaji Number:J772.894H
Mol file:184360-97-2.mol

Synonyms:DTXSID801250692;(E)-4-(1,3-Benzodioxol-4-yl)-3-butenoic acid;(3E)-4-(1,3-Benzodioxol-4-yl)-3-butenoic acid

Suppliers and Price of (E)-4-(1,3-Benzodioxol-4-yl)-3-butenoic 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
3-BUTENOIC ACID, 4-(1,3-BENZODIOXOL-4-YL)-, (3E)- 95.00%
5G
$ 1295.03

American Custom Chemicals Corporation
3-BUTENOIC ACID, 4-(1,3-BENZODIOXOL-4-YL)-, (3E)- 95.00%
2.5G
$ 1065.66

American Custom Chemicals Corporation
3-BUTENOIC ACID, 4-(1,3-BENZODIOXOL-4-YL)-, (3E)- 95.00%
1G
$ 765.23

Total 5 raw suppliers

Chemical Property of (E)-4-(1,3-Benzodioxol-4-yl)-3-butenoic acid

Chemical Property:

Vapor Pressure:0.0103mmHg at 25°C
Melting Point:34-36 °C (lit.)
Refractive Index:1.614
Boiling Point:263.4 °C at 760 mmHg
Flash Point:103.7 °C
PSA：35.53000
Density:1.337 g/cm³
LogP:1.22780
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:206.05790880
Heavy Atom Count:15
Complexity:261

Purity/Quality:

98%min ^*data from raw suppliers

3-BUTENOIC ACID, 4-(1,3-BENZODIOXOL-4-YL)-, (3E)- 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 22-24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1OC2=CC=CC(=C2O1)C=CCC(=O)O
Isomeric SMILES:C1OC2=CC=CC(=C2O1)/C=C/CC(=O)O

Technology Process of (E)-4-(1,3-Benzodioxol-4-yl)-3-butenoic acid

There total 3 articles about (E)-4-(1,3-Benzodioxol-4-yl)-3-butenoic 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: 55.0%

: 6698-13-1
4-bromo-benzo[1,3]dioxole

: (C₄H₉)3SnCO₂CH₂CHCHSn(C₄H₉)3

: 184360-97-2
(E)-4-((2',3'-methylenedioxy)phenyl)but-3-enoic acid

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In toluene; at 100 ℃; for 12h;
DOI:10.1016/S0040-4020(03)00616-1

Reference yield:

: C₂₃H₃₆O₄Sn

: 184360-97-2
(E)-4-((2',3'-methylenedioxy)phenyl)but-3-enoic acid

: (Z)-4-[(2,3-methylenedioxy)phenyl]but-3-enoic acid

Guidance literature:: With hydrogenchloride; In water; at 20 ℃; for 0.25h;
DOI:10.1081/SCC-200032474

Reference yield:

: 6698-13-1
4-bromo-benzo[1,3]dioxole

: tributylstannyl 4-(tributylstannyl)but-3-enoate

: 184360-97-2
(E)-4-((2',3'-methylenedioxy)phenyl)but-3-enoic acid

Guidance literature:: With hydrogenchloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; Yield given. Multistep reaction; 1.) toluene, 100 degC, 12 h; 2.) water, rt, 15 min;
DOI:10.1016/0040-4039(96)01725-X