Methyl 2-oxo-1-indanecarboxylate

Base Information

• Chemical Name: Methyl 2-oxo-1-indanecarboxylate
• CAS No.: 104620-34-0
• Molecular Formula: C11H10O3
• Molecular Weight: 190.199
• Hs Code.: 2918300090
• European Community (EC) Number: 626-954-3
• DSSTox Substance ID: DTXSID90447208
• Nikkaji Number: J851.872F
• Mol file: 104620-34-0.mol

Synonyms:Methyl 2-oxo-1-indanecarboxylate;104620-34-0;methyl 2-oxoindane-1-carboxylate;methyl 2-oxo-2,3-dihydro-1H-indene-1-carboxylate;Methyl 2-oxo-1,3-dihydroindene-1-carboxylate;Methyl2-oxo-1-indanecarboxylate;1H-Indene-1-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester;METHYL 2-OXO-1-INDANECARBOXYLATE 97;1-Methoxycarbonyl-2-indanone;SCHEMBL1207850;methyl 2-oxoindan-1-carboxylate;DTXSID90447208;RWSYHHRDYRDVQL-UHFFFAOYSA-N;MFCD06200715;AKOS016007675;Methyl 2-oxo-1-indanecarboxylate, 97%;AS-61179;2-oxo-indan-1-carboxylic acid methyl ester;CS-0127891;FT-0703055;EN300-266294;A801021;J-001208;2-oxo-1,3-dihydro-indene-1-carboxylic acid methyl ester

Chemical Property of Methyl 2-oxo-1-indanecarboxylate

Chemical Property:

• Vapor Pressure: 0.000567mmHg at 25°C
• Melting Point: 65-69 °C
• Refractive Index: 1.562
• Boiling Point: 311.3 °C at 760 mmHg
• Flash Point: 137.4 °C
• PSA: 43.37000
• Density: 1.246 g/cm³
• LogP: 1.06840
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 190.062994177
• Heavy Atom Count: 14
• Complexity: 259

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl 2-oxo-1-indanecarboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1C(=O)CC2=CC=CC=C12
• Uses: It is used as an active pharmaceutical intermediate.

Technology Process of Methyl 2-oxo-1-indanecarboxylate

There total 7 articles about Methyl 2-oxo-1-indanecarboxylate 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%

carbon dioxide (124-38-9,18923-20-1) + 2-indanone (615-13-4) + methyl iodide (74-88-4) → methyl 2-oxo-2,3-dihydro-1H-indane-1-carboxylate (104620-34-0)

Guidance literature:

With poly(dimethylsiloxane-co-methylhydrosiloxane)trimethylsilyl terminated supported 1-carboxy-6-ethyl-1,8-diazabicyclo[5.4.0]undec-7-ene; In methanol; at 25 - 27 ℃; for 4h; under 760.051 Torr;

DOI:10.1039/c0gc00704h

Reference yield: 92.0%

(o-Phenylen)bis(essigsaeure-methylester) (19109-69-4) → methyl 2-oxo-2,3-dihydro-1H-indane-1-carboxylate (104620-34-0)

Guidance literature:

(o-Phenylen)bis(essigsaeure-methylester); With sodium; In benzene;

With hydrogenchloride; In water; benzene;

Reference yield: 76.0%

methyl 2-diazo-3-oxo-4-phenylbutanoate (104620-33-9) → methyl 2-oxo-2,3-dihydro-1H-indane-1-carboxylate (104620-34-0)

Guidance literature:

With dirhodium tetraacetate; In dichloromethane;

DOI:10.1021/ja00284a037

upstream raw materials:

methyl 2-diazo-3-oxo-4-phenylbutanoate

(o-Phenylen)bis(essigsaeure-methylester)

1,2-Phenylenediacetic acid

methyl 3-oxo-4-phenylbutanoate

Downstream raw materials:

1-(4-Methyl-benzyl)-2-oxo-indan-1-carboxylic acid methyl ester

1-(2-Methyl-benzyl)-2-oxo-indan-1-carboxylic acid methyl ester

3-Methoxy-1-(2-methyl-benzyl)-isochroman

1-(2-Methyl-benzyl)-isochroman-3-one

Refernces

• 1、 El-Gamal, Mohammed I.,Lee, Woo-Seok,Shin, Ji-Sun,Oh, Chang-Hyun,Lee, Kyung-Tae,Choi, Jungseung,Myoung, Nohsun,Baek, Daejin. "Synthesis of New Tricyclic and Tetracyclic Fused Coumarin Sulfonate Derivatives and Their Inhibitory Effects on LPS-Induced Nitric Oxide and PGE2 Productions in RAW 264.7 Macrophages: Part 2". . p. 853 - 863. Retrieved 2016/11/09.
• 2、 Terao, Yosuke,Miyamoto, Kenji,Ohta, Hiromichi. "The aldol type reaction catalyzed by arylmalonate decarboxylase - A decarboxylase can catalyze an entirely different reaction, aldol reaction". . p. 420 - 421. Retrieved 2007/10/03.