Methyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate

Base Information

Chemical Name:Methyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate
CAS No.:872624-52-7
Molecular Formula:C9H7 F3 I N O2
Molecular Weight:345.06
Hs Code.:2922499990
DSSTox Substance ID:DTXSID40700956
Wikidata:Q82632483
ChEMBL ID:CHEMBL5083598
Mol file:872624-52-7.mol

Synonyms:METHYL 2-AMINO-5-IODO-4-(TRIFLUOROMETHYL)BENZOATE;872624-52-7;METHYL 2-AMINO-5-IODO-4-TRIFLUOROMETHYLBENZOATE;CHEMBL5083598;C9H7F3INO2;SCHEMBL2387625;DTXSID40700956;BDBM50581837;CL8523;MFCD11111107;AKOS016013189;AM83250;DS-2905;SB83285;CS-0039068;Methyl 2-amino-4-trifluoromethyl-5-iodobenzoate;A842059;methyl 2-amino-5-iodo-4-trifluoromethyl benzoate;METHYL2-AMINO-5-IODO-4-(TRIFLUOROMETHYL)BENZOATE;2-amino-4-trifluoromethyl-5-iodo-benzoic acid methyl ester;2-amino-5-iodo-4-trifluoromethyl-benzoic acid methyl ester

Suppliers and Price of Methyl 2-amino-5-iodo-4-(trifluoromethyl)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

Medical Isotopes, Inc.
Methyl2-amino-5-iodo-4-(trifluoromethyl)benzoate 95+%
1 g
$ 380.00

Matrix Scientific
Methyl2-amino-5-iodo-4-(trifluoromethyl)benzoate >95%
1g
$ 504.00

Crysdot
Methyl2-amino-5-iodo-4-(trifluoromethyl)benzoate 97%
10g
$ 440.00

Crysdot
Methyl2-amino-5-iodo-4-(trifluoromethyl)benzoate 97%
5g
$ 258.00

ChemScene
Methyl2-amino-4-trifluoromethyl-5-iodobenzoate
1g
$ 53.00

Chemenu
Methyl2-amino-5-iodo-4-(trifluoromethyl)benzoate 95+%
5g
$ 244.00

Chemenu
Methyl2-amino-5-iodo-4-(trifluoromethyl)benzoate 95+%
10g
$ 415.00

American Custom Chemicals Corporation
METHYL-2-AMINO-5-IODO-4-(TRIFLUOROMETHYL)BENZOATE 95.00%
5MG
$ 497.79

Ambeed
Methyl2-amino-5-iodo-4-(trifluoromethyl)benzoate 97%
1g
$ 70.00

Ambeed
Methyl2-amino-5-iodo-4-(trifluoromethyl)benzoate 97%
10g
$ 363.00

Total 25 raw suppliers

Chemical Property of Methyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate

Chemical Property:

Boiling Point:347.4±42.0 °C(Predicted)
PKA:0.72±0.10(Predicted)
PSA：52.32000
Density:1.863±0.06 g/cm3(Predicted)
LogP:3.26000
Storage Temp.:under inert gas (nitrogen or Argon) at 2–8 °C
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:344.94736
Heavy Atom Count:16
Complexity:272

Purity/Quality:

99%, ^*data from raw suppliers

Methyl2-amino-5-iodo-4-(trifluoromethyl)benzoate 95+% ^*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=C1N)C(F)(F)F)I

Technology Process of Methyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate

There total 2 articles about Methyl 2-amino-5-iodo-4-(trifluoromethyl)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: 99.0%

: 61500-87-6
methyl 2-Amino-4-(trifluoromethyl)benzoate

: 872624-52-7
2-amino-5-iodo-4-trifluoromethyl-benzoic acid methyl ester

Guidance literature:: With iodine; silver sulfate; In ethanol; at 20 ℃; for 2h; Product distribution / selectivity;

Reference yield:

: 320-94-5
2-nitro-4-trifluoromethylbenzoic acid

: 872624-52-7
2-amino-5-iodo-4-trifluoromethyl-benzoic acid methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: hydrogen / palladium 10% on activated carbon / methanol / 2 h / 20 °C / 5250.53 Torr

2: sulfuric acid / 16 h / Heating / reflux

3: iodine; silver sulfate / ethanol / 1 h / 20 °C

With sulfuric acid; hydrogen; iodine; silver sulfate; palladium 10% on activated carbon; In methanol; ethanol;

Reference yield: 92.0%

: 872624-52-7
2-amino-5-iodo-4-trifluoromethyl-benzoic acid methyl ester

: 13061-96-6
dihydroxy-methyl-borane

: 872624-53-8
methyl 2-amino-5-methyl-4-trifluoromethylbenzoate

Guidance literature:: With cesium fluoride; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In 1,4-dioxane; at 20 - 80 ℃; for 3h;