| Identification | More | [Name]
Methyl 2-iodobenzoate | [CAS]
610-97-9 | [Synonyms]
2-IODOBENZOIC ACID METHYL ESTER
BENZOIC ACID, 2-IODO-, METHYL ESTER
IBM
METHYL 2-IODOBENZOATE
METHYL O-IODOBENZOATE
O-IODOBENZOIC ACID METHYL ESTER
RARECHEM AL BF 0562
2-iodo-benzoicacimethylester
Benzoic acid, o-iodo-, methyl ester
2-Iodobenzoate
2-IODOBENZOIC AICD METHYLESTER
Methyl2-Iodobenzoate(2-IodobenzoicAcidMethylEster)
2-IodobenzoicAcidMethylEsterC8H7IO2
4-Methyl 2-Iodobenzoate (2-Iodobenzoic Acid Methyl Ester) C8H7Io2
Methyl2-iodobenzoate,98%
Methyl 2-iodobenzoate, 99+%
Methy1
2-(Methoxycarbonyl)-1-iodobenzene
methyl iodobenzoate | [EINECS(EC#)]
210-243-6 | [Molecular Formula]
C8H7IO2 | [MDL Number]
MFCD00016351 | [Molecular Weight]
262.04 | [MOL File]
610-97-9.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR YELLOW LIQUID | [Melting point ]
64°C | [Boiling point ]
149-150 °C/10 mmHg (lit.) | [density ]
1.784 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.604(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
Chloroform, Ethyl Acetate (Slightly), Methanol | [form ]
Crystalling or Flaky Powder | [color ]
White | [Water Solubility ]
INSOLUBLE | [Sensitive ]
Light Sensitive | [Detection Methods]
GC,NMR | [BRN ]
2206859 | [Stability:]
Light Sensitive | [InChI]
1S/C8H7IO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3 | [InChIKey]
BXXLTVBTDZXPTN-UHFFFAOYSA-N | [SMILES]
COC(=O)c1ccccc1I | [CAS DataBase Reference]
610-97-9(CAS DataBase Reference) | [NIST Chemistry Reference]
Methyl-2-iodobenzoate(610-97-9) | [EPA Substance Registry System]
610-97-9(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P305+P351+P338-P280a-P304+P340-P405-P501a | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [TSCA ]
T | [REACH Registrations]
Inactive | [HazardClass ]
IRRITANT | [HS Code ]
29163900 | [Storage Class]
10 - Combustible liquids |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
2-Iodobenzoic acid-->Methyl trifluoroacetate-->METHYL HYDROGEN PHTHALATE-->Methanol-->1-Pentanone, 1-(2-iodophenyl)- | [Preparation Products]
2-Methoxycarbonylphenylboronic acid-->METHYL BIPHENYL-2-CARBOXYLATE-->4′-Methylbiphenyl-2-carboxylic acid methyl ester-->2-Iodobenzyl alcohol-->2,2'-IMINODIBENZOIC ACID-->[R-(E)]-alpha-[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-2-(1-hydroxy-1-methylethyl)benzenepropanol-->2-BroMo-5,7-dihydro-7,7-diMethyl-5-phenyl-indeno[2,1-b]carbazole-->Methyl 2-(trifluoromethyl)benzoate-->METHYL 2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE |
| Hazard Information | Back Directory | [Chemical Properties]
CLEAR YELLOW LIQUID | [Uses]
Methyl 2-iodobenzoate may be used in the preparation of:
- N-substituted 4-methylene-3,4-dihydro-1(2H)-isoquinolin-1-ones
- methyl diphenylacetylene-2-carboxylate
- methyl 2-heptynylphenylbenzoate
- (E)-2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoic acid methyl ester
- 4-(2-carbomethoxyphenyl)-3-(1-methylethoxy)cyclobut-3-ene-1,2-dione
- 3-(2-carbomethoxyphenyl)-4-methylcyclobuten-3-ene-1,2-dione 2-(ethylene acetal)
| [Synthesis Reference(s)]
Journal of the American Chemical Society, 93, p. 4845, 1971 DOI: 10.1021/ja00748a030 | [General Description]
Methyl 2-iodobenzoate can be prepared from 2-iodobenzoic acid via esterification. It undergoes cobalt-catalyzed cyclization with aldehydes to form phthalide derivatives. The microbial dihydroxylation of methyl 2-iodobenzoate forms a nonracemic iodocyclohexene carboxylate intermediate. This intermediate forms the precursor for preparing kibdelone C. | [Synthesis]
To a 200 mL methanol solution of 2-iodobenzoic acid (15 g, 60 mmol) was slowly added 8.8 mL of concentrated sulfuric acid dropwise. The reaction mixture was heated to reflux for 16 hours. Upon completion of the reaction, the mixture was cooled to room temperature and concentrated by rotary evaporator to about 20 mL. Subsequently, the concentrate was partitioned between water (appropriate amount) and dichloromethane (appropriate amount). The aqueous phase was further extracted with dichloromethane (2 × 150 mL). The organic layers were combined and washed sequentially with saturated sodium bicarbonate solution (3 × 100 mL) and water (3 × 100 mL). The organic layers were dried over anhydrous sodium sulfate, filtered and the solvent was evaporated to give methyl 2-iodobenzoate (47) as a light yellow oil (15.4 g, 98% yield).The infrared spectrum of methyl 2-iodobenzoate (47) (KBr, νmax, cm?1): 3444, 3057, 2994, 2946, 2894, 2836, 1728, 1579, 1459, 1428, 1290. 1459, 1428, 1290, 1249, 1127, 1100, 1013, 738. | [References]
[1] Organic and Biomolecular Chemistry, 2018, vol. 16, # 17, p. 3213 - 3219
[2] Organometallics, 2013, vol. 32, # 11, p. 3220 - 3226
[3] European Journal of Medicinal Chemistry, 2013, vol. 69, p. 798 - 816
[4] Synthetic Communications, 2017, vol. 47, # 12, p. 1175 - 1184
[5] Angewandte Chemie - International Edition, 2017, vol. 56, # 39, p. 11995 - 11999 |
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