METHYL 6-METHOXY-1H-INDOLE-2-CARBOXYLATE
- Product Name
- METHYL 6-METHOXY-1H-INDOLE-2-CARBOXYLATE
- CAS No.
- 98081-83-5
- Chemical Name
- METHYL 6-METHOXY-1H-INDOLE-2-CARBOXYLATE
- Synonyms
- AKOS JY2083317;6-Methoxy-2-indolecarboxylate;2-Methoxycarbonyl-6-methoxyindole;METHYL 6-METHOXY-2-INDOLECARBOXYLATE;Methyle6-methoxy-2-indolecarboxylate;METHYL 6-METHOXY-INDOLE-2-CARBOXYLATE;METHYL 6-METHOXY-1H-INDOLE-2-CARBOXYLATE;6-methoxy-3-methyl-1H-indole-2-carboxylate;METHYL 6-METHOXY-2-INDOLECARBOXYLATE, 99 %;6-methoxyindole-2-carboxylate methyl ester
- CBNumber
- CB0714549
- Molecular Formula
- C11H11NO3
- Formula Weight
- 205.21
- MOL File
- 98081-83-5.mol
METHYL 6-METHOXY-1H-INDOLE-2-CARBOXYLATE Property
- Melting point:
- 117-119 °C(lit.)
- Boiling point:
- 370.1±22.0 °C(Predicted)
- Density
- 1.253±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 15.20±0.30(Predicted)
- form
- Powder
- color
- White to beige
- InChI
- InChI=1S/C11H11NO3/c1-14-8-4-3-7-5-10(11(13)15-2)12-9(7)6-8/h3-6,12H,1-2H3
- InChIKey
- OPUUCOLVBDQWEY-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=CC(OC)=C2)C=C1C(OC)=O
- CAS DataBase Reference
- 98081-83-5(CAS DataBase Reference)
Safety
- WGK Germany
- 3
- HazardClass
- IRRITANT
- HS Code
- 29339980
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- 365572
- Product name
- Methyl 6-methoxy-2-indolecarboxylate
- Purity
- 99%
- Packaging
- 1g
- Price
- $56.9
- Updated
- 2023/06/20
- Product number
- 455806
- Product name
- Methyl 6-Methoxy-2-indolecarboxylate
- Packaging
- 1g
- Price
- $425
- Updated
- 2021/12/16
- Product number
- M320400
- Product name
- Methyl 6-methoxy-2-indolecarboxylate
- Packaging
- 5g
- Price
- $545
- Updated
- 2021/12/16
- Product number
- CHM0079974
- Product name
- Methyl 6-methoxy-2-indolecarboxylate
- Purity
- 95.00%
- Packaging
- 0.5G
- Price
- $638
- Updated
- 2021/12/16
- Product number
- CHM0079974
- Product name
- Methyl 6-methoxy-2-indolecarboxylate
- Purity
- 95.00%
- Packaging
- 1G
- Price
- $693
- Updated
- 2021/12/16
METHYL 6-METHOXY-1H-INDOLE-2-CARBOXYLATE Chemical Properties,Usage,Production
Chemical Properties
Pale pink crystals
Uses
Methyl 6-methoxy-2-indolecarboxylate is suitable for use in the production of dyes by Escherichia coli expressing naphthalene dioxygenase (NDO) and toluene dioxygenase (TDO). It is also suitable for use in the production of dyes by Escherichia coli expressing multicomponent phenol hydroxylase (mPH) from Pseudomonas sp. strains KL33 and KL28.
Synthesis
98081-75-5
98081-83-5
General procedure for the synthesis of methyl 6-methoxy-1H-indole-2-carboxylate from compound (CAS: 98081-75-5): compound 10 (3 g, 13.9 mmol) was dissolved in xylene (42 mL) under refluxing conditions and slowly added dropwise to a preheated to refluxing solution of xylene (55 mL), the dropwise process lasted for 20 minutes. After the dropwise addition was completed, the reaction mixture was continued to be stirred at reflux for 6 hours. Upon completion of the reaction, the mixture was cooled to room temperature and subsequently concentrated under reduced pressure to remove the solvent. By recrystallization from benzene, compound 11a (1.97 g, 75% yield) was obtained as a white solid. Thin layer chromatography (TLC) analysis showed an Rf value of 0.40 (unfolding agent was hexane/ethyl acetate = 2:1).1H NMR (400 MHz, CDCl3) δ 8.82 (broad single peak, 1H), 7.56 (double peaks, 1H, J = 9.2 Hz), 7.36 (single peak, 1H), 7.16 (single peak, 1H), 6.83 (multiple peaks, 2H), and 3.93 (single peak, 3H), 3.86 (single peak, 3H).13C NMR (100 MHz, CDCl3) δ 162.4, 158.9, 138.0, 126.0, 123.4, 121.8, 112.3, 109.2, 93.6, 55.4, 51.8.
References
[1] Bioorganic and Medicinal Chemistry Letters, 2013, vol. 23, # 6, p. 1740 - 1742
[2] Journal of Organic Chemistry, 2009, vol. 74, # 17, p. 6442 - 6451
[3] Inorganic Chemistry, 2017, vol. 56, # 8, p. 4253 - 4257
[4] Chemical Communications, 2010, vol. 46, # 37, p. 6926 - 6928
[5] Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 10, p. 3057 - 3061
METHYL 6-METHOXY-1H-INDOLE-2-CARBOXYLATE Preparation Products And Raw materials
Raw materials
Preparation Products
METHYL 6-METHOXY-1H-INDOLE-2-CARBOXYLATE Suppliers
- Tel
- --
- Fax
- --
- y.barysheva@ukrorgsynth.com
- Country
- Ukraine
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- Advantage
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View Lastest Price from METHYL 6-METHOXY-1H-INDOLE-2-CARBOXYLATE manufacturers
- Product
- METHYL 6-METHOXY-1H-INDOLE-2-CARBOXYLATE 98081-83-5
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-08-11
- Product
- METHYL 6-METHOXY-1H-INDOLE-2-CARBOXYLATE 98081-83-5
- Price
- US $6.60/KG
- Min. Order
- 1KG
- Purity
- 97%-99%
- Supply Ability
- 1kg-1000kg
- Release date
- 2019-12-25