121772-84-7

Basic information

• Product Name: methyl 2-iodo-3-bromobenzoic acid
• Synonyms: methyl 2-iodo-3-bromobenzoic acid
• CAS NO: 121772-84-7
• Molecular Weight: 340.943
• Mol File: 121772-84-7.mol

Chemical Properties

• Boiling Point: 103-112 °C(Press: 0.02 Torr)
• Density: 2.059±0.06 g/cm3(Predicted)
• CAS DataBase Reference: methyl 2-iodo-3-bromobenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 2-iodo-3-bromobenzoic acid(121772-84-7)
• EPA Substance Registry System: methyl 2-iodo-3-bromobenzoic acid(121772-84-7)

Safety Data

• Hazardous Substances Data: 121772-84-7(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
Methyl 2-iodo-3-bromobenzoic acid is used as an intermediate in the synthesis of various pharmaceuticals. Its unique structure and reactivity allow for the creation of complex molecules with specific properties, contributing to the development of new drugs with targeted therapeutic effects.
Used in Agrochemical Industry:
In the agrochemical industry, methyl 2-iodo-3-bromobenzoic acid serves as a key intermediate in the production of various agrochemicals. Its chemical properties enable the synthesis of molecules with specific pesticidal or herbicidal activities, helping to develop more effective and targeted crop protection solutions.
Used in Organic Synthesis:
Methyl 2-iodo-3-bromobenzoic acid is utilized as a versatile building block in organic synthesis. Its iodine and bromine atoms, along with the methyl ester group, provide opportunities for further functionalization and modification, allowing chemists to create a wide range of organic compounds with diverse applications in various fields.

Upstream product

• 104670-74-8 methyl 2-amino-3-bromobenzoate 
• 20780-74-9 7-bromoisatin 
• 615-36-1 2-bromoaniline 
• 20776-51-6 2-amino-3-bromo benzoic acid 
• 74-88-4 methyl iodide 

Downstream Products

• 1161009-88-6 4-bromo-9,9’-spirobi[9H-fluorene] 
• 1161009-89-7 2-(9,9'-spirobi[fluoren]-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 
• 4269-17-4 4-bromo-9H-fluorene-9-one 
• 1261653-43-3 methyl 3-bromo-2-cyanobenzoate 

Relevant articles and documents

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Axially Dissymmetric Bis(triaryl)phosphines in the Biphenyl Series: Synthesis of (6,6'-Dimethylbiphenyl-2,2'-diyl)bis(diphenylphosphine) ('BIPHEMP') and Analogues, and their Use in Rh(I)-Catalyzed Asymmetric Isomerisations of N,N-Diethylnerylamine

The axially dissymmetric diphosphines (-)-(R)- and (+)-(S)-(6,6'-dimethylbiphenyl-2,2'-diyl)bis(diphenylphosphine)((-)-(R)-10 and (+)-(S)-10; 'BIPHEMP') have been synthesized, starting from (R)- and (S)-6,6'-dimethylbiphenyl-2,2'-diamine ((R)- and (S)-16), respectively, via Sandmeyer reaction, lithiation, and phosphinylation.Moreover, racemic 4,4'-dimethyl- and 4,4'-bis(dimethylamino)-substituted analogues 11 and 12, respsctively, and the 6,6'-bridged analogue 1,11-bis(diphenylphosphino)-5,7-dihydrodibenzoxepin (13) were synthesized and resolved into optically pure (R)- and (S)-enantiomers via complexation with di-μ-chlorobisphenyl-C,N>dipalladium(II) ((R)-18).The molecular structures of the diphosphines (S)-10 and (R)-13 and of two derived cationic Rh(I) complexes, BF4 and BF4 were determined by X-ray analyses.Absolute configurations were established for (+)-(S)-10 by X-ray analyses of both the free diphosphine and of the derived Rh(I) complex, and for (-)-13 by X-ray analysis of the derived Rh(I) complex.Configurational assignments for the substituted BIPHEMP analogues 11 and 12 were achieved by means of 1H-NMR comparisons of the Pd(II) complexes derived from the diphosphines and (R)-18, and by means of CD comparisons.The BIPHEMP ligand 10 and analogues 11, 12, and 13 are the first examples of optically active bis(triarylphosphines) containing the axially dissymmetric biphenyl moiety.All these new diphosphines proved to be excellent asymmetry-inducing ligands in Rh(I)-catalyzed isomerizations of N,N-diethylnerylamine affording citronellal enamine of 98-99percent ee.