3-Vinylbenzaldehyde

Base Information

• Chemical Name: 3-Vinylbenzaldehyde
• CAS No.: 19955-99-8
• Molecular Formula: C9H8O
• Molecular Weight: 132.162
• Hs Code.: 2912299000
• European Community (EC) Number: 628-006-4
• DSSTox Substance ID: DTXSID20275415
• Nikkaji Number: J93.611A
• Wikidata: Q82005361
• Mol file: 19955-99-8.mol

Synonyms:3-Vinylbenzaldehyde;19955-99-8;3-ethenylbenzaldehyde;3-vinyl benzaldehyde;3-vinyl-benzaldehyde;3-Vinylbenzaldehyde, 97%;SCHEMBL149900;DTXSID20275415;CATOVPRCMWIZLR-UHFFFAOYSA-N;MFCD02093761;AKOS015889328;AS-58337;CS-0196959;FT-0637932;J-012888

Chemical Property of 3-Vinylbenzaldehyde

Chemical Property:

• Vapor Pressure: 0.0668mmHg at 25°C
• Refractive Index: n20/D 1.58(lit.)
• Boiling Point: 230.2 °C at 760 mmHg
• Flash Point: 108.5 °C
• PSA: 17.07000
• Density: 1.04 g/cm³
• LogP: 2.14210
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 132.057514874
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Vinylbenzaldehyde 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC1=CC(=CC=C1)C=O
• Uses: 3-Vinylbenzaldehyde may be used in the preparation of:2-(3-vinylphenyl)-1,3-dioxolanevarious substituted iminesmonomer bearing a 2,4,5-triphenylimidazole moietypoly(3-vinylbenzaldehyde-co-dimethylacrylamide) (PVBA-co-PDMA) copolymers

Technology Process of 3-Vinylbenzaldehyde

There total 13 articles about 3-Vinylbenzaldehyde 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: 83.0%

m-bromobenzoic aldehyde (3132-99-8) + ethene (74-85-1) → 3-ethenylbenzaldehyde (19955-99-8)

Guidance literature:

With triethylamine; tris-(o-tolyl)phosphine; palladium diacetate; In N,N-dimethyl-formamide; at 110 ℃; for 24h; under 30002.4 Torr;

DOI:10.1021/ma0116710

Reference yield: 76.0%

m-bromobenzoic aldehyde (3132-99-8) + tri-n-butyl(vinyl)tin (7486-35-3) → 3-ethenylbenzaldehyde (19955-99-8)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 100 ℃; for 12h;

DOI:10.1039/c0cc04727a

Reference yield: 69.0%

m-bromobenzoic aldehyde (3132-99-8) + 2,4,6-trivinylcyclotriboroxane*pyridine complex → 3-ethenylbenzaldehyde (19955-99-8)

Guidance literature:

With potassium carbonate; In 1,4-dioxane; at 100 ℃; for 2h; Inert atmosphere;

upstream raw materials:

Isophthalaldehyde

malonic acid

Methyltriphenylphosphonium bromide

N,N-dimethyl-formamide

Downstream raw materials:

3-vinylbenzoic acid

2-(3-ethenylphenyl)-1,3-dioxolane

N-phenyl-3-vinylbenzohydrazonoyl chloride

N-(4-bromophenyl)-3-vinylbenzohydrazonoyl chloride

Refernces

• 1、 -. "VINYL COMPOUNDS AS FGFR AND VEGFR INHIBITORS". Paragraph 0537; 0538. . Retrieved 2018/06/23.
• 2、 -. "INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE". Page/Page column 34. . Retrieved 2017/09/28.