3-Allyloxy-benzoic acid

Base Information

• Chemical Name: 3-Allyloxy-benzoic acid
• CAS No.: 103203-83-4
• Molecular Formula: C10H10O3
• Molecular Weight: 178.188
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID80424346
• Nikkaji Number: J2.071.668A
• Wikidata: Q82236874
• Mol file: 103203-83-4.mol

Synonyms:3-(allyloxy)benzoic acid;3-Allyloxy-benzoic acid;103203-83-4;3-prop-2-enoxybenzoic acid;Benzoic acid, 3-(2-propenyloxy)-;3-(allyloxy)benzoicacid;3-(2-propenyloxy)benzoic acid;SCHEMBL1668739;DTXSID80424346;ZMEBKXNYMWXFEX-UHFFFAOYSA-N;MFCD00527900;3-(Allyloxy)benzoic acid, AldrichCPR;AKOS000186743;BP-10764;BS-25772;CS-0208438

Chemical Property of 3-Allyloxy-benzoic acid

Chemical Property:

• Vapor Pressure: 7.13E-05mmHg at 25°C
• Boiling Point: 329.4oC at 760 mmHg
• Flash Point: 132.4oC
• PSA: 46.53000
• Density: 1.156g/cm3
• LogP: 1.94960
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 178.062994177
• Heavy Atom Count: 13
• Complexity: 189

Purity/Quality:

97% ^*data from raw suppliers

3-(Allyloxy)benzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCOC1=CC=CC(=C1)C(=O)O

Technology Process of 3-Allyloxy-benzoic acid

There total 11 articles about 3-Allyloxy-benzoic 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: 100.0%

allyl 3-allyloxybenzoate (26505-19-1) → 3-(allyloxy)benzoic acid (103203-83-4)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); In benzene; at 65 - 70 ℃; for 3h;

DOI:10.1055/S-2008-1072727

Reference yield: 96.0%

methyl 3-(prop-2-enyloxy)benzoate (79250-46-7) → 3-(allyloxy)benzoic acid (103203-83-4)

Guidance literature:

With potassium hydroxide; In tetrahydrofuran; methanol; water; for 5h; Reflux;

DOI:10.1021/acs.jmedchem.0c01564

Reference yield: 94.0%

ethyl 4-(allyloxy)benzoate (105208-23-9) → 3-(allyloxy)benzoic acid (103203-83-4)

Guidance literature:

ethyl 4-(allyloxy)benzoate; With sodium hydroxide; water; In ethanol; at 20 ℃; for 3h;

With hydrogenchloride; In ethanol; water;

upstream raw materials:

(2R,4R)-3-<2-azido-2-<3-(allyloxy)phenyl>-1-oxoethyl>-4-(phenylmethyl)-2-oxazolidinone

(R)-(3-Allyloxy-phenyl)-azido-acetic acid

allyl 3-allyloxybenzoate

3-Carboxyphenol

Downstream raw materials:

3-allyloxy-benzoyl chloride

1-(3-(4-(3-(aminomethyl)phenyl)piperidine-1-carbonyl)phenoxy)-3-hydroxypropan-2-one

tert-butyl 3-(1-(3-(2,3-dihydroxypropoxy)benzoyl)piperidin-4-yl)benzylcarbamate

tert-butyl 3-(1-(3-(3-((tert-butyldimethylsilyl)oxy)-2-hydroxypropoxy)benzoyl)piperidin-4-yl)benzylcarbamate