1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, methyl ester, (E)-

Base Information

Chemical Name:1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, methyl ester, (E)-
CAS No.:86617-00-7
Molecular Formula:C₁₈H₁₄ClF₃O₄
Molecular Weight:386.755
Hs Code.:
DSSTox Substance ID:DTXSID90235703
Wikidata:Q76278538

Synonyms:RU 26696;BRN 5144728;1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, methyl ester, (E)-;86617-00-7;C18H14ClF3O4;DTXSID90235703;LS-34382

Suppliers and Price of 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, methyl ester, (E)-

Supply Marketing:

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

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Chemical Property of 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, methyl ester, (E)-

Chemical Property:

Vapor Pressure:1.08E-07mmHg at 25°C
Boiling Point:432.7°C at 760 mmHg
Flash Point:155°C
Density:1.361g/cm³
XLogP3:4.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:386.0532711
Heavy Atom Count:26
Complexity:529

Purity/Quality:

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

Technology Process of 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, methyl ester, (E)-

There total 2 articles about 1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, methyl ester, (E)- 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:

: 1450-74-4
5-chloro-2-hydroxyacetophenone

: 73050-74-5,73051-33-9,73534-68-6,86617-00-7
(2R,4R)-6-Chloro-4-methyl-4-(3-trifluoromethyl-phenyl)-4H-benzo[1,3]dioxine-2-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 50percent NaH/mineral oil / tetrahydrofuran / Ambient temperature

2: 50percent NaH/mineral oil, 18 crown 6 / dioxane / 3 h / 65 °C

3: Redex CF resin

With 18-crown-6 ether; Redex CF resin; sodium hydride; mineral oil; In tetrahydrofuran; 1,4-dioxane;

Reference yield:

: 86608-94-8
5-chloro-2-hydroxy-α-methyl-α-(3-trifluoromethylphenyl)-benzene-methanol

: 73050-74-5,73051-33-9,73534-68-6,86617-00-7
(2R,4R)-6-Chloro-4-methyl-4-(3-trifluoromethyl-phenyl)-4H-benzo[1,3]dioxine-2-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 50percent NaH/mineral oil, 18 crown 6 / dioxane / 3 h / 65 °C

2: Redex CF resin

With 18-crown-6 ether; Redex CF resin; sodium hydride; mineral oil; In 1,4-dioxane;