3-(2,2-Difluoro-1,3-benzodioxol-5-yl)-(2E)-propenoic acid

Base Information

• Chemical Name: 3-(2,2-Difluoro-1,3-benzodioxol-5-yl)-(2E)-propenoic acid
• CAS No.: 387350-55-2
• Molecular Formula: C10H6 F2 O4
• Molecular Weight: 228.15
• Hs Code.: 2932990090
• European Community (EC) Number: 671-757-8
• Mol file: 387350-55-2.mol

Synonyms:387350-55-2;3-(2,2-Difluoro-1,3-benzodioxol-5-yl)-(2E)-propenoic acid;721-13-1;3-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)acrylic acid;(E)-3-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)acrylic acid;(E)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)prop-2-enoic acid;3-[2,2-DIFLUOROBENZO[1,3]-DIOXOL-5-YL]ACRYLIC ACID;MFCD00203111;SCHEMBL1536357;HMS518J21;AKOS015853275;PS-6335;CS-0451985;EN300-266735;EN300-833131;SR-01000385206;SR-01000385206-1;3-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)acrylicacid;Z2315575760;(E)-3-(2,2-Difluoro-1,3-benzodioxol-5-yl)acrylic acid;3-(2,2-difluoro-1,3-dioxaindan-5-yl)prop-2-enoic acid;(2E)-3-(2,2-Difluoro-1,3-benzodioxol-5-yl)propenoic acid;(2E)-3-(2,2-difluoro-1,3-dioxaindan-5-yl)prop-2-enoic acid;3-(2,2-Difluoro-1,3-benzodioxol-5-yl)(2E) propenoic acid;3-(2,2-Difluoro-1,3-benzodioxol-5-yl)-(2E)propenoic acid;3-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)prop-2-enoic acid;(2E)-3-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)prop-2-enoic acid;trans-3-(2,2-difluoro-1,3-benzodioxol-5-yl)prop-2-enoic acid

Chemical Property of 3-(2,2-Difluoro-1,3-benzodioxol-5-yl)-(2E)-propenoic acid

Chemical Property:

• Melting Point: 176～179℃
• PSA: 55.76000
• LogP: 2.10590
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 228.02341499
• Heavy Atom Count: 16
• Complexity: 316

Purity/Quality:

97% ^*data from raw suppliers

(2e)-3-(2,2-Difluoro-2h-1,3-benzodioxol-5-Yl)prop-2-enoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1C=CC(=O)O)OC(O2)(F)F
• Isomeric SMILES: C1=CC2=C(C=C1/C=C/C(=O)O)OC(O2)(F)F

Technology Process of 3-(2,2-Difluoro-1,3-benzodioxol-5-yl)-(2E)-propenoic acid

There total 1 articles about 3-(2,2-Difluoro-1,3-benzodioxol-5-yl)-(2E)-propenoic 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: 70.0%

2,2-difluoro-2H-1,3-benzodioxole-5-carbaldehyde (656-42-8) + malonic acid (141-82-2) → 3-(2,2-difluoro-benzo[1,3]dioxol-5-yl)-acrylic acid (387350-55-2)

Guidance literature:

With pyridine; piperidine; for 3h; Heating / reflux;

upstream raw materials:

2,2-difluoro-2H-1,3-benzodioxole-5-carbaldehyde

malonic acid