Methyl 4-(trifluoromethoxy)benzoate

Base Information

Chemical Name:Methyl 4-(trifluoromethoxy)benzoate
CAS No.:780-31-4
Molecular Formula:C9H7F3O3
Molecular Weight:220.148
Hs Code.:2918990090
DSSTox Substance ID:DTXSID10353231
Nikkaji Number:J3.267.498D
Wikidata:Q82130707
Mol file:780-31-4.mol

Synonyms:methyl 4-(trifluoromethoxy)benzoate;780-31-4;Methyl4-(Trifluoromethoxy)benzoate;Benzoic acid, 4-(trifluoromethoxy)-, methyl ester;MFCD00041006;Benzoic acid,4-(trifluoromethoxy)-, methyl ester;SCHEMBL514352;methyl 4-trifluoromethoxybenzoate;DTXSID10353231;AC7766;BBL103379;STL557189;AKOS015852952;PS-7867;SY030133;CS-0188989;FT-0628592

Suppliers and Price of Methyl 4-(trifluoromethoxy)benzoate

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

TRC
Methyl4-(trifluoromethoxy)benzoate
500mg
$ 65.00

SynQuest Laboratories
Methyl 4-(trifluoromethoxy)benzoate 97%
1 g
$ 16.00

SynQuest Laboratories
Methyl 4-(trifluoromethoxy)benzoate 97%
5 g
$ 26.00

SynQuest Laboratories
Methyl 4-(trifluoromethoxy)benzoate 97%
25 g
$ 87.00

Matrix Scientific
Methyl 4-(trifluoromethoxy)benzoate 97%
100g
$ 178.00

Matrix Scientific
Methyl 4-(trifluoromethoxy)benzoate 97%
25g
$ 59.00

Matrix Scientific
Methyl 4-(trifluoromethoxy)benzoate 97%
5g
$ 19.00

Crysdot
Methyl4-(trifluoromethoxy)benzoate 97%
500g
$ 547.00

AOBChem
Methyl4-(trifluoromethoxy)benzoate 97%
100g
$ 195.00

American Custom Chemicals Corporation
METHYL 4-(TRIFLUOROMETHOXY)BENZOATE 95.00%
10G
$ 481.20

Total 29 raw suppliers

Chemical Property of Methyl 4-(trifluoromethoxy)benzoate

Chemical Property:

Vapor Pressure:8.99mmHg at 25°C
Refractive Index:1.432
Boiling Point:211.9 °C at 760 mmHg
Flash Point:79.9 °C
PSA：35.53000
Density:1.312 g/cm³
LogP:2.37180
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:220.03472857
Heavy Atom Count:15
Complexity:219

Purity/Quality:

97% ^*data from raw suppliers

Methyl4-(trifluoromethoxy)benzoate ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC=C(C=C1)OC(F)(F)F

Technology Process of Methyl 4-(trifluoromethoxy)benzoate

There total 9 articles about Methyl 4-(trifluoromethoxy)benzoate 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: 64.0%

: α,α-difluoro[4-(methoxycarbonyl)phenoxy]acetic acid

: 780-31-4
methyl 4-(trifluoromethoxy)benzoate

Guidance literature:: With 2,6-difluoro pyridine; silver(II) fluoride; silver fluoride; In acetonitrile; at 23 - 35 ℃; Inert atmosphere; Glovebox;
DOI:10.1002/anie.201604793

Reference yield: 53.0%

: 3186-53-6
O-methyl S-p-methylphenyl thiocarbonate

: 139301-27-2
4-trifluoromethoxyphenylboronic acid

: 780-31-4
methyl 4-(trifluoromethoxy)benzoate

Guidance literature:: With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; copper(I) thiophene-2-carboxylate; trifuran-2-yl-phosphane; In 1,4-dioxane; at 60 ℃; for 16h; Sealed tube; Inert atmosphere;
DOI:10.1021/acs.joc.0c00198

Reference yield:

: 93-58-3,5705-52-2,80226-58-0
benzoic acid methyl ester

: 3-methyl-4-nitro-1-(trifluoromethoxy)-6-(trifluoromethyl)-1H-benzo[d][1,2,3]triazol-3-ium trifluoromethanesulfonate

: methyl 2-(trifluoromethoxy)benzoate

: 780-31-4
methyl 4-(trifluoromethoxy)benzoate

: 148438-00-0
3-trifluoromethoxybenzoic acid methyl ester

Guidance literature:: With tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; In acetonitrile; at 20 ℃; for 16h; Overall yield = 75 %Spectr.; regioselective reaction; Sealed tube; Irradiation;
DOI:10.1002/anie.201808495