3-Oxo-hexanedioic acid 1-ethyl ester 6-methyl ester

Base Information

• Chemical Name: 3-Oxo-hexanedioic acid 1-ethyl ester 6-methyl ester
• CAS No.: 56294-09-8
• Molecular Formula: C9H14O5
• Molecular Weight: 202.207
• DSSTox Substance ID: DTXSID901239271
• Nikkaji Number: J1.258.093B
• Mol file: 56294-09-8.mol

Synonyms:3-Oxo-hexanedioic acid 1-ethyl ester 6-methyl ester;56294-09-8;1-Ethyl 6-methyl 3-oxohexanedioate;1-O-ethyl 6-O-methyl 3-oxohexanedioate;1-ethyl6-methyl3-oxohexanedioate;14000-78-3;ethyl methyl beta-oxoadipate;3-Oxohexanedioic acid, 1-ethyl ester 6-methyl ester;SCHEMBL8780916;DTXSID901239271;AMY31016;1-Ethyl 6-methyl 3-oxohexanedioate #;3-Oxohexanedioic acid 1-ethyl 6-methyl ester;Hexanedioic acid, 3-oxo-, 1-ethyl 6-methyl ester

Chemical Property of 3-Oxo-hexanedioic acid 1-ethyl ester 6-methyl ester

Chemical Property:

• PSA: 69.67000
• LogP: 0.46190
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 202.08412354
• Heavy Atom Count: 14
• Complexity: 221

Purity/Quality:

99% ^*data from raw suppliers

3-OXO-HEXANEDIOIC ACID-1-ETHYL ESTER-6-METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CC(=O)CCC(=O)OC

Technology Process of 3-Oxo-hexanedioic acid 1-ethyl ester 6-methyl ester

There total 13 articles about 3-Oxo-hexanedioic acid 1-ethyl ester 6-methyl ester 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: 56.0%

(Z)-3-Nitro-hex-2-enedioic acid 1-ethyl ester 6-methyl ester → ethyl 5-methoxycarbonyl-3-oxopentanoate (56294-09-8)

Guidance literature:

With titanium(III) chloride; ammonium acetate; In 1,2-dimethoxyethane; water;

DOI:10.1016/j.tetlet.2004.07.141

Reference yield: 48.0%

succinic acid monomethylester chloride (1490-25-1) → ethyl 5-methoxycarbonyl-3-oxopentanoate (56294-09-8)

Guidance literature:

Reference yield: 19.0%

ethanol (64-17-5) + dimethyl 3-oxoadipate (5457-44-3) → ethyl 5-methoxycarbonyl-3-oxopentanoate (56294-09-8) + diethyl 3-oxoadipate (7149-59-9)

Guidance literature:

With sodium ethanolate; for 2.5h; Heating;

upstream raw materials:

2-acetyl-3-oxo-adipic acid 1-ethyl-6-methyldiester

diethyl (ethoxymagnesio)malonate

methyl 3-chloropropionate

Methyl 3-(Dimethylthiocarbamoyl)propanoate

Downstream raw materials:

3-(2-methoxycarbonyl-ethyl)-5-methyl-pyrrole-2,4-dicarboxylic acid-2-ethyl ester-4-benzyl ester

(1-benzyl-5-oxo-4,5-dihydro-pyrrol-2-yl)-acetic acid ethyl ester

Methyl 5,7-dicarbethoxy-4-oxo-7-(m-methoxyphenyl)heptanoate

ethyl aminocrotonate

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