- Efficient palladium-mediated synthesis of a spirocyclic model for fredericamycin ACiufolini, Marco A.; Browne, Margaret E., Tetrahedron Letters, 1987, 28(2), 171-4
Cas no 96606-95-0 (3-(2-Iodophenyl)propanoic Acid)
96606-95-0 structure
Product Name:3-(2-Iodophenyl)propanoic Acid
CAS No:96606-95-0
MF:C9H9IO2
MW:276.071035146713
MDL:MFCD00040789
CID:802820
PubChem ID:329765331
Update Time:2024-10-25
3-(2-Iodophenyl)propanoic Acid Chemical and Physical Properties
Names and Identifiers
-
- 3-(2-Iodophenyl)propanoic acid
- 3-(2-IODOPHENYL)PROPIONIC ACID
- Benzenepropanoic acid,2-iodo-
- 2-Iodobenzenepropanoic acid
- Benzenepropanoic acid, 2-iodo-
- 2-Iodo-benzenepropanoic acid
- AK112430
- 2-iodobenzenepropionic acid
- 3-(2'-Iodophenyl)propionic acid
- POJTZKMVSQVKNR-UHFFFAOYSA-N
- 3-(2-iodanylphenyl)propanoic acid
- 3-(2-Iodo-phenyl)-propionic acid
- OR6479
- SBB068273
- 6771AC
- MB00406
- FCH1321240
- 2-Iodobenzenepropanoic acid (ACI)
- s10171
- AKOS005216849
- WDA60695
- SY238889
- 3-(2-Iodophenyl)propionic acid, 97%
- SCHEMBL4336097
- 3-(2-Iodophenyl)propanoicacid
- DTXSID50371515
- 96606-95-0
- CS-0156655
- DS-5647
- MFCD00040789
- 3-(2-Iodophenyl)propanoic Acid
-
- MDL: MFCD00040789
- Inchi: 1S/C9H9IO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4H,5-6H2,(H,11,12)
- InChI Key: POJTZKMVSQVKNR-UHFFFAOYSA-N
- SMILES: O=C(CCC1C(I)=CC=CC=1)O
Computed Properties
- Exact Mass: 275.96500
- Monoisotopic Mass: 275.965
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 159
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 37.3
- XLogP3: 2.3
Experimental Properties
- Density: 1.775
- Melting Point: 87-92?°C
- Boiling Point: 354 oC
- Flash Point: 168 oC
- Refractive Index: 1.624
- PSA: 37.30000
- LogP: 2.30840
3-(2-Iodophenyl)propanoic Acid Security Information
-
Symbol:
- Signal Word:Danger
- Hazard Statement: H302-H315-H318-H335
- Warning Statement: P261-P280-P305+P351+P338
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 22-37/38-41-52/53
- Safety Instruction: 26-39-61
-
Hazardous Material Identification:
- Storage Condition:Keep in dark place,Sealed in dry,Room Temperature
3-(2-Iodophenyl)propanoic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 033918-250mg |
3-(2-Iodophenyl)propionic acid |
96606-95-0 | 95% | 250mg |
£16.00 | 2022-03-01 | |
| Fluorochem | 033918-1g |
3-(2-Iodophenyl)propionic acid |
96606-95-0 | 95% | 1g |
£38.00 | 2022-03-01 | |
| Fluorochem | 033918-5g |
3-(2-Iodophenyl)propionic acid |
96606-95-0 | 95% | 5g |
£150.00 | 2022-03-01 | |
| Fluorochem | 033918-10g |
3-(2-Iodophenyl)propionic acid |
96606-95-0 | 95% | 10g |
£280.00 | 2022-03-01 | |
| Alichem | A013033530-250mg |
3-(2'-Iodophenyl)propionic acid |
96606-95-0 | 97% | 250mg |
$484.80 | 2023-08-31 | |
| Alichem | A013033530-500mg |
3-(2'-Iodophenyl)propionic acid |
96606-95-0 | 97% | 500mg |
$855.75 | 2023-08-31 | |
| Alichem | A013033530-1g |
3-(2'-Iodophenyl)propionic acid |
96606-95-0 | 97% | 1g |
$1504.90 | 2023-08-31 | |
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 739138-1G |
3-(2-Iodophenyl)propionic acid |
96606-95-0 | 1g |
¥507.08 | 2023-11-25 | ||
| CHENG DOU FEI BO YI YAO Technology Co., Ltd. | FB02388-25g |
3-(2-iodophenyl)propanoic Acid |
96606-95-0 | 95% | 25g |
$555 | 2023-09-07 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-CH003-5g |
3-(2-Iodophenyl)propanoic Acid |
96606-95-0 | 97% | 5g |
1682.0CNY | 2021-07-12 |
3-(2-Iodophenyl)propanoic Acid Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Sodium chloride Solvents: Dimethyl sulfoxide , Water
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Ethanol , Water ; 2 h, reflux; cooled
1.2 Reagents: Hydrochloric acid Solvents: Water ; pH 2
1.2 Reagents: Hydrochloric acid Solvents: Water ; pH 2
Reference
- Copper-catalyzed cross-coupling of O-alkyl hydroxamates with aryl iodidesKukosha, Tatyana; Trufilkina, Nadezhda; Belyakov, Sergey; Katkevics, Martins, Synthesis, 2012, 44(15), 2413-2423
Production Method 3
Reaction Conditions
1.1 Reagents: Formic acid , Triethylamine
Reference
- The photo-dehydro-Diels-Alder (PDDA) reaction - a powerful method for the preparation of biarylsWessig, Pablo; Mueller, Gunnar; Pick, Charlotte; Matthes, Annika, Synthesis, 2007, (3), 464-477
Production Method 4
Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Water ; overnight, reflux; overnight, reflux
Reference
- A preparation of oxyphenyl and sulfanylphenyl derivatives of amino acids, useful as glycine transporter inhibitors, World Intellectual Property Organization, , ,
Production Method 5
Reaction Conditions
1.1 Reagents: Guanidine nitrate , Oxygen , Hydrazine hydrate (1:1) Solvents: Ethanol , Ethyl acetate ; 16 h, rt; 16 h, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ; pH 1, rt
1.2 Reagents: Hydrochloric acid Solvents: Water ; pH 1, rt
Reference
- Synthetic Studies Toward the Skyllamycins: Total Synthesis and Generation of Simplified AnaloguesGiltrap, Andrew M.; Haeckl, F. P. Jake; Kurita, Kenji L.; Linington, Roger G. ; Payne, Richard J., Journal of Organic Chemistry, 2018, 83(13), 7250-7270
Production Method 6
Reaction Conditions
Reference
- The Endocyclic Restriction Test: An Investigation of the Geometries of Thiophilic Additions of Aryl Radicals and Aryllithium Reagents to DithioestersBeak, Peter; Park, Yong Sun; Reif, Lee A.; Liu, Chao, Journal of Organic Chemistry, 1994, 59(24), 7410-13
Production Method 7
Reaction Conditions
1.1 Reagents: N-Iodosuccinimide , Sulfuric acid Solvents: Acetic acid
Reference
- Iodination of aromatic compounds by N-iodosuccinimide in organic solvents in the presence of H2SO4Chaikovski, V. K.; Filimonov, V. D.; Skorokhodov, V. I., Izvestiya Vysshikh Uchebnykh Zavedenii, 2002, 45(3), 48-51
Production Method 8
Reaction Conditions
1.1 Reagents: Potassium hydroxide Solvents: Methanol , Water ; overnight, reflux; reflux → rt
1.2 Reagents: Hydrochloric acid Solvents: Water ; rt
1.2 Reagents: Hydrochloric acid Solvents: Water ; rt
Reference
- Carbopalladation of Nitriles: Synthesis of Benzocyclic Ketones and Cyclopentenones via Pd-Catalyzed Cyclization of ω-(2-Iodoaryl)alkanenitriles and Related CompoundsPletnev, Alexandre A.; Larock, Richard C., Journal of Organic Chemistry, 2002, 67(26), 9428-9438
Production Method 9
Reaction Conditions
1.1 Reagents: Formic acid , Triethylamine Solvents: Dimethylformamide ; 0 °C; 12 h, 65 °C
1.2 Reagents: Water ; 6 h, 90 °C
1.2 Reagents: Water ; 6 h, 90 °C
Reference
- Palladium-Catalyzed, Norbornene-Mediated, ortho-Amination ipso-Amidation: Sequential C-N Bond FormationWhyte, Andrew ; Olson, Maxwell E.; Lautens, Mark, Organic Letters, 2018, 20(2), 345-348
Production Method 10
Reaction Conditions
1.1 Reagents: Formic acid, compd. with N,N-diethylethanamine (5:2)
Reference
- The effect of vinyl esters on the enantioselectivity of the lipase-catalyzed transesterification of alcoholsKawasaki, M.; Goto, M.; Kawabata, S.; Kometani, T., Tetrahedron: Asymmetry, 2001, 12(4), 585-596
Production Method 11
Reaction Conditions
1.1 Reagents: Formic acid , Formic acid, compd. with N,N-diethylethanamine (5:2)
Reference
- On Homogeneous Gold/Palladium Catalytic SystemsHashmi, A. Stephen K.; Lothschuetz, Christian; Doepp, Rene; Ackermann, Martin; Becker, Janosc De Buck; et al, Advanced Synthesis & Catalysis, 2012, 354(1), 133-147
Production Method 12
Reaction Conditions
Reference
- Copper-Catalyzed Dynamic Kinetic C-P Cross-Coupling/Cyclization for the Concise Asymmetric Synthesis of Six-, Seven- and Eight-Membered P-Stereogenic Phosphorus HeterocyclesLi, Yanli; Jin, Xiao; Liu, Peng; Zhang, Haijuan; Yu, Xiuling; et al, Angewandte Chemie, 2022, 61(24),
Production Method 13
Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium
Reference
- Phosphine-catalyzed divergent domino processes between γ-substituted allenoates and carbonyl-activated alkenesWu, Mingyue; Han, Zhaobin; Ni, Huanzhen; Wang, Nengzhong; Ding, Kuiling; et al, Chemical Science, 2022, 13(11), 3161-3168
Production Method 14
Reaction Conditions
Reference
- An Approach to Lysergic Acid Utilizing an Intramolecular Isomuenchnone Cycloaddition PathwayMarino, Joseph P. Jr.; Osterhout, Martin H.; Padwa, Albert, Journal of Organic Chemistry, 1995, 60(9), 2704-13
3-(2-Iodophenyl)propanoic Acid Raw materials
- 3-Phenylpropionic acid
- 2,2-dimethyl-1,3-dioxane-4,6-dione
- Benzenepropanenitrile, 2-iodo-
- Diethyl 2-(2-iodobenzyl)malonate
- 2-Iodobenzaldehyde
- 5,5-dimethylcyclohexane-1,3-dione
- 2-Propenoic acid, 3-(2-iodophenyl)-, (E)-
- Benzenepropanoic acid, 2-iodo-, methyl ester
- 2-Propenoic acid,3-(2-iodophenyl)-
3-(2-Iodophenyl)propanoic Acid Preparation Products
3-(2-Iodophenyl)propanoic Acid Related Literature
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
96606-95-0 (3-(2-Iodophenyl)propanoic Acid) Related Products
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- 1643-29-4(3-(4-Iodophenyl)propanoic acid)
- 74855-17-7(Benzenepentadecanoicacid, 4-(iodo-123I)- (9CI))
- 106181-24-2(Benzenehexadecanoic acid, 4-iodo-)
- 141273-91-8(Benzenepropanoic acid, 2-iodo-, methyl ester)
- 68034-75-3(3-(3-Iodophenyl)propanoic acid)
- 27913-58-2(4-(p-Iodophenyl)butyric acid)
- 85578-85-4(14-(iodophenyl)-3-methyltetradecanoic acid)
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