3-(3-Carboethoxyphenyl)-1-propene

Base Information

• Chemical Name: 3-(3-Carboethoxyphenyl)-1-propene
• CAS No.: 372510-70-8
• Molecular Formula: C12H14O2
• Molecular Weight: 190.242
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID30476956
• Nikkaji Number: J1.683.774A
• Wikidata: Q82308929
• Mol file: 372510-70-8.mol

Synonyms:3-(3-Carboethoxyphenyl)-1-propene;372510-70-8;ethyl 3-prop-2-enylbenzoate;MFCD01319577;ethyl 3-allylbenzoate;3-Allylbenzoic acid ethyl ester;3-ALLYL-BENZOIC ACID ETHYL ESTER;SCHEMBL3293258;DTXSID30476956;MPLLDJHHRMLFNO-UHFFFAOYSA-N;AKOS006275880;FT-0725234

Chemical Property of 3-(3-Carboethoxyphenyl)-1-propene

Chemical Property:

• Vapor Pressure: 0.00529mmHg at 25°C
• Boiling Point: 274.8oC at 760 mmHg
• Flash Point: 122.4oC
• PSA: 26.30000
• Density: 1.01g/cm3
• LogP: 2.59180
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 190.099379685
• Heavy Atom Count: 14
• Complexity: 199

Purity/Quality:

97% ^*data from raw suppliers

3-(3-Carboethoxyphenyl)-1-propene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=CC(=C1)CC=C

Technology Process of 3-(3-Carboethoxyphenyl)-1-propene

There total 10 articles about 3-(3-Carboethoxyphenyl)-1-propene 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: 87.0%

3-iodobenzoic acid methyl ester (58313-23-8) + allyl bromide (106-95-6) → 3-allyl-benzoic acid ethyl ester (372510-70-8)

Guidance literature:

3-iodobenzoic acid methyl ester; With dilithium tetra(tert-butyl)zincate; In tetrahydrofuran; at -78 - 0 ℃; Inert atmosphere;

allyl bromide; In tetrahydrofuran; at 20 ℃; for 12h; chemoselective reaction; Inert atmosphere;

DOI:10.1002/chem.200800536

Reference yield: 84.0%

allyl iodid (556-56-9) + 3-iodobenzoic acid methyl ester (58313-23-8) → benzoic acid ethyl ester (93-89-0,99341-95-4) + 3-allyl-benzoic acid ethyl ester (372510-70-8)

Guidance literature:

With indium; triphenylphosphine; lithium chloride; tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; In N,N-dimethyl-formamide; at 100 ℃; for 2h;

DOI:10.1021/ol016532h

Reference yield: 80.0%

Allyl acetate (591-87-7) + 3-iodobenzoic acid methyl ester (58313-23-8) → benzoic acid ethyl ester (93-89-0,99341-95-4) + 3-allyl-benzoic acid ethyl ester (372510-70-8)

Guidance literature:

With indium(III) chloride; indium; N,N-dimethylbutylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; lithium chloride; In N,N-dimethyl-formamide; at 100 ℃; for 2h;

DOI:10.1002/chem.200601338

upstream raw materials:

allyl iodid

3-iodobenzoic acid methyl ester

Allyl acetate

ethyl 3-bromobenzoate

Downstream raw materials:

3-allylbenzoic acid

2-m-allylbenzoyl-2'-O-tert-butyldimethylsilyl-3'-de-tert-butoxycarbonyl-3'-heptenoyl-7,10-ditriethylsilyldocetaxel

3-{3-[(R)-3-(tert-butyl-dimethyl-silanyloxy)-5-oxo-cyclopent-1-enyl]-propyl}-benzoic acid ethyl ester

(3-allylphenyl)methanol

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