Methyl 4-fluoro-3-iodobenzoate

Base Information

Chemical Name:Methyl 4-fluoro-3-iodobenzoate
CAS No.:1121586-29-5
Molecular Formula:C8H6FIO2
Molecular Weight:280.0349132
Hs Code.:2916399090
DSSTox Substance ID:DTXSID40697776
Wikidata:Q72490785
Mol file:1121586-29-5.mol

Synonyms:METHYL 4-FLUORO-3-IODOBENZOATE;1121586-29-5;Methyl 3-iodo-4-fluorobenzoate;4-fluoro-3-iodo-benzoic acid methyl ester;4-FLUORO-3-IODOBENZOIC ACID METHYL ESTER;SCHEMBL15543900;DTXSID40697776;VVVNAJAWYUURAO-UHFFFAOYSA-N;CK2344;MFCD11870177;METHYL4-FLUORO-3-IODOBENZOATE;AKOS015995364;AS-45888;CS-0105536;FT-0732620;AS-813/43501842

Suppliers and Price of Methyl 4-fluoro-3-iodobenzoate

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-Fluoro-3-iodobenzoate
50mg
$ 45.00

SynQuest Laboratories
Methyl 4-fluoro-3-iodobenzoate
5 g
$ 392.00

SynQuest Laboratories
Methyl 4-fluoro-3-iodobenzoate
1 g
$ 92.00

Crysdot
Methyl4-fluoro-3-iodobenzoate 95+%
5g
$ 551.00

Chemenu
methyl4-fluoro-3-iodobenzoate 95%
5g
$ 520.00

Chemcia Scientific
4-Fluoro-3-iodo-benzoicacidmethylester ＞95%
1 G
$ 90.00

Apolloscientific
Methyl4-fluoro-3-iodobenzoate 97%
5g
$ 356.00

Apolloscientific
Methyl4-fluoro-3-iodobenzoate 97%
1g
$ 83.00

Alichem
Methyl4-fluoro-3-iodobenzoate
250mg
$ 494.40

Alichem
Methyl4-fluoro-3-iodobenzoate
1g
$ 1460.20

Total 14 raw suppliers

Chemical Property of Methyl 4-fluoro-3-iodobenzoate

Chemical Property:

Melting Point:42-43 °C
Boiling Point:287.9±25.0 °C(Predicted)
PSA：26.30000
Density:1.823±0.06 g/cm3(Predicted)
LogP:2.21690
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:279.93966
Heavy Atom Count:12
Complexity:174

Purity/Quality:

99%, ^*data from raw suppliers

Methyl4-Fluoro-3-iodobenzoate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Methyl 4-fluoro-3-iodobenzoate

There total 6 articles about Methyl 4-fluoro-3-iodobenzoate 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: 60.0%

: (2-fluoro-5-(methyl acetyl)phenyl)(phenyl)iodonium triflate

: 110-58-7
n-Pentylamine

: 1121586-29-5
methyl 4-fluoro-3-iodobenzoate

: 2-iodo-4-methyl acetyl-N-(phenyl)-N-(pentyl)aniline

Guidance literature:: With potassium carbonate; In acetonitrile; at 90 ℃; for 15h; Microwave irradiation; Sealed tube; Inert atmosphere;
DOI:10.1016/j.chempr.2022.01.009

Reference yield:

: 67-56-1
methanol

: 1170669-90-5
4-fluoro-3-iodobenzoyl chloride

: 1121586-29-5
methyl 4-fluoro-3-iodobenzoate

Guidance literature:: With triethylamine; In dichloromethane; at 20 ℃; for 4h; Inert atmosphere;
DOI:10.1021/ml500423v

Reference yield:

: 403-18-9
3-iodo-4-fluorobenzoic acid

: 1121586-29-5
methyl 4-fluoro-3-iodobenzoate

Guidance literature:: Multi-step reaction with 2 steps

1: N,N-dimethyl-formamide; oxalyl dichloride / dichloromethane / 17.5 h / 0 - 20 °C / Inert atmosphere

2: triethylamine / dichloromethane / 4 h / 20 °C / Inert atmosphere

With oxalyl dichloride; triethylamine; N,N-dimethyl-formamide; In dichloromethane;
DOI:10.1021/ml500423v