4-(Allyloxy)-3,5-dichlorobenzoic acid

Base Information

• Chemical Name: 4-(Allyloxy)-3,5-dichlorobenzoic acid
• CAS No.: 41727-45-1
• Molecular Formula: C10H8Cl2O3
• Molecular Weight: 247.07
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID30194522
• Nikkaji Number: J73.804B
• Wikidata: Q83067295
• Mol file: 41727-45-1.mol

Synonyms:41727-45-1;4-(ALLYLOXY)-3,5-DICHLOROBENZOIC ACID;3,5-dichloro-4-prop-2-enoxybenzoic acid;BRN 2583984;4-Allyloxy-3,5-dichlorobenzoic acid;BENZOIC ACID, 4-(ALLYLOXY)-3,5-DICHLORO-;C10H8Cl2O3;4-allyloxy-3,5-dichloro-benzoic acid;SCHEMBL3472930;3,5-DICHLORO-4-(PROP-2-EN-1-YLOXY)BENZOIC ACID;DTXSID30194522;RXLVKVUKUULKAK-UHFFFAOYSA-N;MFCD01660141;AKOS006221885;BS-37817;LS-35570;CS-0452291;4-(ALLYLOXY)-3,5-DICHLOROBENZOICACID;4-(ALLYLOXY)-3,5-DICHLOROBENZOIC ACID 95%

Chemical Property of 4-(Allyloxy)-3,5-dichlorobenzoic acid

Chemical Property:

• Vapor Pressure: 6.64E-06mmHg at 25°C
• Boiling Point: 363°C at 760 mmHg
• PKA: 3.71±0.10(Predicted)
• Flash Point: 173.3°C
• PSA: 46.53000
• Density: 1.388g/cm³
• LogP: 3.25640
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 245.9850495
• Heavy Atom Count: 15
• Complexity: 233

Purity/Quality:

98%min ^*data from raw suppliers

4-(allyloxy)-3,5-dichlorobenzoicacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCOC1=C(C=C(C=C1Cl)C(=O)O)Cl

Technology Process of 4-(Allyloxy)-3,5-dichlorobenzoic acid

There total 2 articles about 4-(Allyloxy)-3,5-dichlorobenzoic 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: 92.0%

3,5-dichloro-4-hydroxybenzoic acid (3336-41-2) + allyl bromide (106-95-6) → 4-allyloxy-3,5-dichloro-benzoic acid (41727-45-1)

Guidance literature:

3,5-dichloro-4-hydroxybenzoic acid; allyl bromide; With potassium hydroxide; In ethanol; for 24h;

With hydrogenchloride; In ethanol; water;

Reference yield:

→ 4-allyloxy-3,5-dichloro-benzoic acid (41727-45-1)

Guidance literature:

3.5-Dichlor-4-hydroxy-benzoesaeure, Allylbromid, NaOCH3-Lsg.;

Reference yield: 47.0%

{2-[2-(2-Benzyloxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-pyrrolidin-1-yl]-1-methyl-2-oxo-ethyl}-carbamic Acid tert-Butyl Ester + 4-allyloxy-3,5-dichloro-benzoic acid (41727-45-1) → 1-[2-(4-Allyloxy-3,5-dichloro-benzoylamino)-propionyl]-pyrrolidine-2-carboxylic Acid (2-Benzyloxy-5-oxo-tetrahydro-furan-3-yl)-amide

Guidance literature:

upstream raw materials:

3,5-dichloro-4-hydroxybenzoic acid

allyl bromide

Downstream raw materials:

4-allyloxy-3,5-dichlorobenzoic acid chloride

Refernces