cis-6-Chloro-4-methyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid

Base Information

Chemical Name:cis-6-Chloro-4-methyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid
CAS No.:74271-48-0
Molecular Formula:C₁₆H₁₃ClO₄
Molecular Weight:304.73
Hs Code.:
DSSTox Substance ID:DTXSID70995792
Wikidata:Q76155603
Mol file:74271-48-0.mol

Synonyms:74271-48-0;cis-6-Chloro-4-methyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid;1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, (Z)-;4H-1,3-Benzodioxin-2-carboxylic acid, 6-chloro-4-methyl-4-phenyl-, cis-;Acide (chloro-6 methyl-4 phenyl-4 (4H) benzodioxine-(1,3)) carboxylique-2 cis [French];DTXSID70995792;LS-34377;6-Chloro-4-methyl-4-phenyl-2H,4H-1,3-benzodioxine-2-carboxylic acid;Acide (chloro-6 methyl-4 phenyl-4 (4H) benzodioxine-(1,3)) carboxylique-2 cis

Suppliers and Price of cis-6-Chloro-4-methyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of cis-6-Chloro-4-methyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid

Chemical Property:

Vapor Pressure:2.09E-10mmHg at 25°C
Melting Point:171 °C
Boiling Point:489.8°C at 760 mmHg
PKA:1.74±0.40(Predicted)
Flash Point:250°C
PSA：55.76000
Density:1.353g/cm³
LogP:3.42320
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:304.0502366
Heavy Atom Count:21
Complexity:396

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C2=C(C=CC(=C2)Cl)OC(O1)C(=O)O)C3=CC=CC=C3
Isomeric SMILES:C[C@]1(C2=C(C=CC(=C2)Cl)O[C@@H](O1)C(=O)O)C3=CC=CC=C3

Technology Process of cis-6-Chloro-4-methyl-4-phenyl-1,3-benzodioxan-2-carboxylic acid

There total 11 articles about cis-6-Chloro-4-methyl-4-phenyl-1,3-benzodioxan-2-carboxylic 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: 87.0%

: 67059-58-9,67059-59-0,71980-73-9,74271-51-5,74271-52-6
benzodioxine-(1,3)> carboxylate-2 de methyle cis

: 67059-60-3,67059-61-4,67059-77-2,74271-48-0,74271-49-1,86617-17-6,86617-18-7
acide benzodioxine-(1,3)> caboxylique-2 cis

Guidance literature:: With potassium hydroxide; In methanol; water; for 24h; Ambient temperature;

Reference yield: 81.5%

: 67059-58-9,67059-59-0,71980-73-9,74271-51-5,74271-52-6
(2RS, 4RS) benzodioxine-(1,3)> carboxylate-2 de methyle

: 67059-60-3,67059-61-4,67059-77-2,74271-48-0,74271-49-1,86617-17-6,86617-18-7
acide benzodioxine-(1,3)> caboxylique-2 trans

Guidance literature:: With potassium hydroxide; In methanol; water; for 24h; Ambient temperature;

Reference yield:

: 79-43-6
dichloro-acetic acid

: 74271-47-9
chloro-5 hydroxy-2 α-methyl α-phenyl benzene methanol

: 67059-60-3,67059-61-4,67059-77-2,74271-48-0,74271-49-1,86617-17-6,86617-18-7
acide benzodioxine-(1,3)> caboxylique-2 trans

: 67059-60-3,67059-61-4,67059-77-2,74271-48-0,74271-49-1,86617-17-6,86617-18-7
acide benzodioxine-(1,3)> caboxylique-2 cis

Guidance literature:: With 18-crown-6 ether; sodium hydride; mineral oil; In 1,4-dioxane; at 65 ℃; for 3h; Yield given. Yields of byproduct given;